CID 467634

Nsc688329

Structural Information

Molecular Formula
C17H10ClN5
SMILES
C1=CC=C2C(=C1)NC(=N2)C(C#N)C3=NC4=CC=CC=C4N=C3Cl
InChI
InChI=1S/C17H10ClN5/c18-16-15(20-11-5-1-2-6-12(11)21-16)10(9-19)17-22-13-7-3-4-8-14(13)23-17/h1-8,10H,(H,22,23)
InChIKey
CONGDXLVGSDCKY-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)-2-(3-chloroquinoxalin-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.06247 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.06975 174.2
[M+Na]+ 342.05169 187.2
[M-H]- 318.05519 173.7
[M+NH4]+ 337.09629 184.7
[M+K]+ 358.02563 175.7
[M+H-H2O]+ 302.05973 156.8
[M+HCOO]- 364.06067 183.0
[M+CH3COO]- 378.07632 182.2
[M+Na-2H]- 340.03714 178.7
[M]+ 319.06192 170.5
[M]- 319.06302 170.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.