CID 380614

42389-34-4

Structural Information

Molecular Formula
C12H10ClN5
SMILES
CC1=CC(=NC(=N1)NC2=NC3=CC=CC=C3N2)Cl
InChI
InChI=1S/C12H10ClN5/c1-7-6-10(13)17-11(14-7)18-12-15-8-4-2-3-5-9(8)16-12/h2-6H,1H3,(H2,14,15,16,17,18)
InChIKey
FQNPYEONCHVKMK-UHFFFAOYSA-N
Compound name
N-(4-chloro-6-methylpyrimidin-2-yl)-1H-benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.06247 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.06975 155.5
[M+Na]+ 282.05169 167.6
[M-H]- 258.05519 157.4
[M+NH4]+ 277.09629 169.8
[M+K]+ 298.02563 160.0
[M+H-H2O]+ 242.05973 146.0
[M+HCOO]- 304.06067 171.8
[M+CH3COO]- 318.07632 167.2
[M+Na-2H]- 280.03714 163.1
[M]+ 259.06192 157.5
[M]- 259.06302 157.5
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.