CID 387150

Nsc680664

Structural Information

Molecular Formula
C12H9Cl2N5
SMILES
CC1=C(N=C(N=C1Cl)NC2=NC3=CC=CC=C3N2)Cl
InChI
InChI=1S/C12H9Cl2N5/c1-6-9(13)17-12(18-10(6)14)19-11-15-7-4-2-3-5-8(7)16-11/h2-5H,1H3,(H2,15,16,17,18,19)
InChIKey
OCWKWOATJXIYOB-UHFFFAOYSA-N
Compound name
N-(4,6-dichloro-5-methylpyrimidin-2-yl)-1H-benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.0235 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.03078 161.8
[M+Na]+ 316.01272 174.9
[M-H]- 292.01622 163.1
[M+NH4]+ 311.05732 175.4
[M+K]+ 331.98666 166.5
[M+H-H2O]+ 276.02076 152.6
[M+HCOO]- 338.02170 172.8
[M+CH3COO]- 352.03735 173.0
[M+Na-2H]- 313.99817 167.7
[M]+ 293.02295 165.2
[M]- 293.02405 165.2
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.