PubChemLite - Azimilide (C23H28ClN5O3)

Structural Information

Molecular Formula

SMILES

CN1CCN(CC1)CCCCN2C(=O)CN(C2=O)/N=C/C3=CC=C(O3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H28ClN5O3/c1-26-12-14-27(15-13-26)10-2-3-11-28-22(30)17-29(23(28)31)25-16-20-8-9-21(32-20)18-4-6-19(24)7-5-18/h4-9,16H,2-3,10-15,17H2,1H3/b25-16+

InChIKey

MREBEPTUUMTTIA-PCLIKHOPSA-N

Compound name

1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione

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]+	458.19536	214.2
[M+Na]+	480.17730	220.0
[M-H]-	456.18080	222.9
[M+NH4]+	475.22190	220.2
[M+K]+	496.15124	214.0
[M+H-H2O]+	440.18534	201.7
[M+HCOO]-	502.18628	224.8
[M+CH3COO]-	516.20193	221.2
[M+Na-2H]-	478.16275	207.4
[M]+	457.18753	215.6
[M]-	457.18863	215.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

458.19536

214.2

[M+Na]+

480.17730

220.0

[M-H]-

456.18080

222.9

[M+NH4]+

475.22190

220.2

[M+K]+

496.15124

214.0

[M+H-H2O]+

440.18534

201.7

[M+HCOO]-

502.18628

224.8

[M+CH3COO]-

516.20193

221.2

[M+Na-2H]-

478.16275

207.4

[M]+

457.18753

215.6

[M]-

457.18863

215.6

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

Azimilide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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