CID 3021756

2h-benzimidazole-2-thione, 5-chloro-1,3-dihydro-1,3-bis((phenylamino)methyl)-

Structural Information

Molecular Formula
C21H19ClN4S
SMILES
C1=CC=C(C=C1)NCN2C3=C(C=C(C=C3)Cl)N(C2=S)CNC4=CC=CC=C4
InChI
InChI=1S/C21H19ClN4S/c22-16-11-12-19-20(13-16)26(15-24-18-9-5-2-6-10-18)21(27)25(19)14-23-17-7-3-1-4-8-17/h1-13,23-24H,14-15H2
InChIKey
USHHFBZUVASVIO-UHFFFAOYSA-N
Compound name
1,3-bis(anilinomethyl)-5-chlorobenzimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.1019 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.10918 191.5
[M+Na]+ 417.09112 208.7
[M+NH4]+ 412.13572 200.7
[M+K]+ 433.06506 197.3
[M-H]- 393.09462 199.6
[M+Na-2H]- 415.07657 202.6
[M]+ 394.10135 197.2
[M]- 394.10245 197.2
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.