CID 387151

Nsc680665

Structural Information

Molecular Formula
C18H13Cl2N5
SMILES
C1=CC=C(C=C1)CC2=C(N=C(N=C2Cl)NC3=NC4=CC=CC=C4N3)Cl
InChI
InChI=1S/C18H13Cl2N5/c19-15-12(10-11-6-2-1-3-7-11)16(20)24-18(23-15)25-17-21-13-8-4-5-9-14(13)22-17/h1-9H,10H2,(H2,21,22,23,24,25)
InChIKey
QMAZZHULTDZAGY-UHFFFAOYSA-N
Compound name
N-(5-benzyl-4,6-dichloropyrimidin-2-yl)-1H-benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.0548 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.06208 182.1
[M+Na]+ 392.04402 193.7
[M-H]- 368.04752 185.9
[M+NH4]+ 387.08862 192.0
[M+K]+ 408.01796 183.6
[M+H-H2O]+ 352.05206 170.8
[M+HCOO]- 414.05300 192.2
[M+CH3COO]- 428.06865 191.5
[M+Na-2H]- 390.02947 187.3
[M]+ 369.05425 185.3
[M]- 369.05535 185.3
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.