CID 3068385

83408-79-1

Structural Information

Molecular Formula
C17H17N3OS
SMILES
CC1=C(C(=CC=C1)NCC(=O)SC2=NC3=CC=CC=C3N2)C
InChI
InChI=1S/C17H17N3OS/c1-11-6-5-9-13(12(11)2)18-10-16(21)22-17-19-14-7-3-4-8-15(14)20-17/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKey
GJVFRBQXMNTUTC-UHFFFAOYSA-N
Compound name
S-(1H-benzimidazol-2-yl) 2-(2,3-dimethylanilino)ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.10922 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.11650 171.4
[M+Na]+ 334.09844 185.2
[M+NH4]+ 329.14304 179.4
[M+K]+ 350.07238 177.3
[M-H]- 310.10194 175.4
[M+Na-2H]- 332.08389 178.7
[M]+ 311.10867 175.0
[M]- 311.10977 175.0
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.