CID 5050686

33424-75-8

Structural Information

Molecular Formula
C21H20N4S
SMILES
C1=CC=C(C=C1)NCN2C3=CC=CC=C3N(C2=S)CNC4=CC=CC=C4
InChI
InChI=1S/C21H20N4S/c26-21-24(15-22-17-9-3-1-4-10-17)19-13-7-8-14-20(19)25(21)16-23-18-11-5-2-6-12-18/h1-14,22-23H,15-16H2
InChIKey
MYHYVKHEYKPFMF-UHFFFAOYSA-N
Compound name
1,3-bis(anilinomethyl)benzimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.14087 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.14815 181.8
[M+Na]+ 383.13009 191.3
[M-H]- 359.13359 190.5
[M+NH4]+ 378.17469 194.7
[M+K]+ 399.10403 182.5
[M+H-H2O]+ 343.13813 172.1
[M+HCOO]- 405.13907 202.0
[M+CH3COO]- 419.15472 192.5
[M+Na-2H]- 381.11554 186.7
[M]+ 360.14032 184.4
[M]- 360.14142 184.4
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.