PubChemLite - N-(2-chloro-6-methylphenyl)-8-[(3s)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine (C22H23ClN6)

Structural Information

Molecular Formula

SMILES

C[C@H]1CN(CCN1)C2=CC3=C(C=C2)N=C(C4=CN=CN34)NC5=C(C=CC=C5Cl)C

InChI

InChI=1S/C22H23ClN6/c1-14-4-3-5-17(23)21(14)27-22-20-11-24-13-29(20)19-10-16(6-7-18(19)26-22)28-9-8-25-15(2)12-28/h3-7,10-11,13,15,25H,8-9,12H2,1-2H3,(H,26,27)/t15-/m0/s1

InChIKey

VWJPPYCULHDHBB-HNNXBMFYSA-N

Compound name

N-(2-chloro-6-methylphenyl)-8-[(3S)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	407.17455	200.1
[M+Na]+	429.15649	209.7
[M-H]-	405.15999	203.7
[M+NH4]+	424.20109	207.6
[M+K]+	445.13043	199.2
[M+H-H2O]+	389.16453	187.2
[M+HCOO]-	451.16547	208.1
[M+CH3COO]-	465.18112	207.2
[M+Na-2H]-	427.14194	201.9
[M]+	406.16672	199.2
[M]-	406.16782	199.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

407.17455

200.1

[M+Na]+

429.15649

209.7

[M-H]-

405.15999

203.7

[M+NH4]+

424.20109

207.6

[M+K]+

445.13043

199.2

[M+H-H2O]+

389.16453

187.2

[M+HCOO]-

451.16547

208.1

[M+CH3COO]-

465.18112

207.2

[M+Na-2H]-

427.14194

201.9

[M]+

406.16672

199.2

[M]-

406.16782

199.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

N-(2-chloro-6-methylphenyl)-8-[(3s)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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