CID 510038

1,3-diphenethyl-2h-benzimidazole-2-carbodithioic acid

Structural Information

Molecular Formula
C24H24N2S2
SMILES
C1=CC=C(C=C1)CCN2C(N(C3=CC=CC=C32)CCC4=CC=CC=C4)C(=S)S
InChI
InChI=1S/C24H24N2S2/c27-24(28)23-25(17-15-19-9-3-1-4-10-19)21-13-7-8-14-22(21)26(23)18-16-20-11-5-2-6-12-20/h1-14,23H,15-18H2,(H,27,28)
InChIKey
OMRMLGSYYGIPDP-UHFFFAOYSA-N
Compound name
1,3-bis(2-phenylethyl)-2H-benzimidazole-2-carbodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

404.1381 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.14538 194.4
[M+Na]+ 427.12732 202.6
[M-H]- 403.13082 201.7
[M+NH4]+ 422.17192 206.5
[M+K]+ 443.10126 193.6
[M+H-H2O]+ 387.13536 186.0
[M+HCOO]- 449.13630 202.9
[M+CH3COO]- 463.15195 203.1
[M+Na-2H]- 425.11277 191.9
[M]+ 404.13755 197.1
[M]- 404.13865 197.1
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.