CID 3006426

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

Structural Information

Molecular Formula
C23H23N3S
SMILES
CN1C(N(C2=CC=CC=C21)CCC3=CC=CC=C3)C(=S)NC4=CC=CC=C4
InChI
InChI=1S/C23H23N3S/c1-25-20-14-8-9-15-21(20)26(17-16-18-10-4-2-5-11-18)23(25)22(27)24-19-12-6-3-7-13-19/h2-15,23H,16-17H2,1H3,(H,24,27)
InChIKey
XXSPVKVPAUGYRE-UHFFFAOYSA-N
Compound name
1-methyl-N-phenyl-3-(2-phenylethyl)-2H-benzimidazole-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

373.16125 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.16853 189.7
[M+Na]+ 396.15047 196.8
[M-H]- 372.15397 197.4
[M+NH4]+ 391.19507 202.1
[M+K]+ 412.12441 188.7
[M+H-H2O]+ 356.15851 180.0
[M+HCOO]- 418.15945 204.4
[M+CH3COO]- 432.17510 198.9
[M+Na-2H]- 394.13592 189.7
[M]+ 373.16070 190.1
[M]- 373.16180 190.1
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.