CID 387149

Nsc680663

Structural Information

Molecular Formula
C17H11Cl2N5
SMILES
C1=CC=C(C=C1)C2=C(N=C(N=C2Cl)NC3=NC4=CC=CC=C4N3)Cl
InChI
InChI=1S/C17H11Cl2N5/c18-14-13(10-6-2-1-3-7-10)15(19)23-17(22-14)24-16-20-11-8-4-5-9-12(11)21-16/h1-9H,(H2,20,21,22,23,24)
InChIKey
XXLLIKXMZDUCPE-UHFFFAOYSA-N
Compound name
N-(4,6-dichloro-5-phenylpyrimidin-2-yl)-1H-benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.03915 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.04643 177.9
[M+Na]+ 378.02837 189.9
[M-H]- 354.03187 181.8
[M+NH4]+ 373.07297 188.3
[M+K]+ 394.00231 180.0
[M+H-H2O]+ 338.03641 166.7
[M+HCOO]- 400.03735 188.3
[M+CH3COO]- 414.05300 187.7
[M+Na-2H]- 376.01382 183.5
[M]+ 355.03860 180.8
[M]- 355.03970 180.8
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.