PubChemLite - Va-111913 (C23H21ClFN5O2)

Structural Information

Molecular Formula

SMILES

CN1C2=C(CN(C3=C(N2)C=C(C=C3)Cl)C(=O)C4=CC(=C(C=C4)CNC(=O)C5CC5)F)C=N1

InChI

InChI=1S/C23H21ClFN5O2/c1-29-21-16(11-27-29)12-30(20-7-6-17(24)9-19(20)28-21)23(32)14-4-5-15(18(25)8-14)10-26-22(31)13-2-3-13/h4-9,11,13,28H,2-3,10,12H2,1H3,(H,26,31)

InChIKey

VOEZSPDOPDPGSY-UHFFFAOYSA-N

Compound name

N-[[4-(8-chloro-1-methyl-4,10-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)-2-fluorophenyl]methyl]cyclopropanecarboxamide

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]+	454.14406	204.6
[M+Na]+	476.12600	214.7
[M-H]-	452.12950	209.8
[M+NH4]+	471.17060	207.5
[M+K]+	492.09994	209.1
[M+H-H2O]+	436.13404	193.2
[M+HCOO]-	498.13498	213.1
[M+CH3COO]-	512.15063	211.1
[M+Na-2H]-	474.11145	203.0
[M]+	453.13623	204.8
[M]-	453.13733	204.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

454.14406

204.6

[M+Na]+

476.12600

214.7

[M-H]-

452.12950

209.8

[M+NH4]+

471.17060

207.5

[M+K]+

492.09994

209.1

[M+H-H2O]+

436.13404

193.2

[M+HCOO]-

498.13498

213.1

[M+CH3COO]-

512.15063

211.1

[M+Na-2H]-

474.11145

203.0

[M]+

453.13623

204.8

[M]-

453.13733

204.8

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

Va-111913

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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