CID 3006425

(2z)-1-ethyl-3-phenethyl-n-phenyl-2h-benzimidazole-2-carboximidothioic acid

Structural Information

Molecular Formula
C24H25N3S
SMILES
CCN1C(N(C2=CC=CC=C21)CCC3=CC=CC=C3)C(=S)NC4=CC=CC=C4
InChI
InChI=1S/C24H25N3S/c1-2-26-21-15-9-10-16-22(21)27(18-17-19-11-5-3-6-12-19)24(26)23(28)25-20-13-7-4-8-14-20/h3-16,24H,2,17-18H2,1H3,(H,25,28)
InChIKey
LPGIFTCBPWYCDK-UHFFFAOYSA-N
Compound name
1-ethyl-N-phenyl-3-(2-phenylethyl)-2H-benzimidazole-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.1769 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.18418 194.0
[M+Na]+ 410.16612 200.5
[M-H]- 386.16962 201.4
[M+NH4]+ 405.21072 205.8
[M+K]+ 426.14006 192.3
[M+H-H2O]+ 370.17416 184.0
[M+HCOO]- 432.17510 208.3
[M+CH3COO]- 446.19075 202.7
[M+Na-2H]- 408.15157 193.4
[M]+ 387.17635 194.7
[M]- 387.17745 194.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.