CID 387155

Nsc680669

Structural Information

Molecular Formula
C17H12ClN5
SMILES
C1=CC=C(C=C1)C2=CC(=NC(=N2)NC3=NC4=CC=CC=C4N3)Cl
InChI
InChI=1S/C17H12ClN5/c18-15-10-14(11-6-2-1-3-7-11)21-17(22-15)23-16-19-12-8-4-5-9-13(12)20-16/h1-10H,(H2,19,20,21,22,23)
InChIKey
RTJYWYDYNMKREW-UHFFFAOYSA-N
Compound name
N-(4-chloro-6-phenylpyrimidin-2-yl)-1H-benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.07812 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.08540 171.4
[M+Na]+ 344.06734 182.5
[M-H]- 320.07084 176.0
[M+NH4]+ 339.11194 182.5
[M+K]+ 360.04128 173.1
[M+H-H2O]+ 304.07538 160.2
[M+HCOO]- 366.07632 187.2
[M+CH3COO]- 380.09197 181.8
[M+Na-2H]- 342.05279 178.8
[M]+ 321.07757 172.7
[M]- 321.07867 172.7
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.