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 190.6
[M+Na]+ 417.09112 201.5
[M-H]- 393.09462 199.3
[M+NH4]+ 412.13572 203.2
[M+K]+ 433.06506 191.5
[M+H-H2O]+ 377.09916 181.4
[M+HCOO]- 439.10010 206.0
[M+CH3COO]- 453.11575 201.0
[M+Na-2H]- 415.07657 194.0
[M]+ 394.10135 195.8
[M]- 394.10245 195.8
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.