CID 467631

Nsc688326

Structural Information

Molecular Formula
C14H10ClN5
SMILES
CC1=CC(=NC(=N1)Cl)C(C#N)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C14H10ClN5/c1-8-6-12(20-14(15)17-8)9(7-16)13-18-10-4-2-3-5-11(10)19-13/h2-6,9H,1H3,(H,18,19)
InChIKey
RLKCOYYZVSIAOW-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)-2-(2-chloro-6-methylpyrimidin-4-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.06247 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.06975 163.4
[M+Na]+ 306.05169 176.1
[M-H]- 282.05519 162.6
[M+NH4]+ 301.09629 174.7
[M+K]+ 322.02563 167.1
[M+H-H2O]+ 266.05973 146.6
[M+HCOO]- 328.06067 173.5
[M+CH3COO]- 342.07632 172.3
[M+Na-2H]- 304.03714 167.2
[M]+ 283.06192 159.9
[M]- 283.06302 159.9
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.