CID 393991

Nsc697076

Structural Information

Molecular Formula
C20H15Cl2N3
SMILES
C1=CC=C(C(=C1)CC2=NC3=CC=CC=C3N2)NC4=C(C=CC=C4Cl)Cl
InChI
InChI=1S/C20H15Cl2N3/c21-14-7-5-8-15(22)20(14)25-16-9-2-1-6-13(16)12-19-23-17-10-3-4-11-18(17)24-19/h1-11,25H,12H2,(H,23,24)
InChIKey
JKTJVVAFRKITIO-UHFFFAOYSA-N
Compound name
N-[2-(1H-benzimidazol-2-ylmethyl)phenyl]-2,6-dichloroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.0643 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.07158 184.2
[M+Na]+ 390.05352 195.2
[M-H]- 366.05702 190.4
[M+NH4]+ 385.09812 197.0
[M+K]+ 406.02746 184.9
[M+H-H2O]+ 350.06156 174.6
[M+HCOO]- 412.06250 196.6
[M+CH3COO]- 426.07815 194.3
[M+Na-2H]- 388.03897 188.2
[M]+ 367.06375 187.5
[M]- 367.06485 187.5
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.