PubChemLite - 147920-15-8 (C23H25F3N6O2)

Structural Information

Molecular Formula

SMILES

CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NC(=O)C(F)(F)F

InChI

InChI=1S/C23H25F3N6O2/c1-14(2)28-18-4-3-7-27-20(18)31-8-10-32(11-9-31)21(33)19-13-15-12-16(5-6-17(15)30-19)29-22(34)23(24,25)26/h3-7,12-14,28,30H,8-11H2,1-2H3,(H,29,34)

InChIKey

IQWZRCANSWEHQR-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-N-[2-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-1-carbonyl]-1H-indol-5-yl]acetamide

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]+	475.20638	209.6
[M+Na]+	497.18832	214.0
[M-H]-	473.19182	210.0
[M+NH4]+	492.23292	213.0
[M+K]+	513.16226	207.0
[M+H-H2O]+	457.19636	196.0
[M+HCOO]-	519.19730	218.1
[M+CH3COO]-	533.21295	238.1
[M+Na-2H]-	495.17377	208.6
[M]+	474.19855	202.5
[M]-	474.19965	202.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

475.20638

209.6

[M+Na]+

497.18832

214.0

[M-H]-

473.19182

210.0

[M+NH4]+

492.23292

213.0

[M+K]+

513.16226

207.0

[M+H-H2O]+

457.19636

196.0

[M+HCOO]-

519.19730

218.1

[M+CH3COO]-

533.21295

238.1

[M+Na-2H]-

495.17377

208.6

[M]+

474.19855

202.5

[M]-

474.19965

202.5

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

147920-15-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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