CID 3061164

78772-41-5

Structural Information

Molecular Formula
C17H19N5S
SMILES
CC1=CC=CC=C1NC(=S)NNCCC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C17H19N5S/c1-12-6-2-3-7-13(12)21-17(23)22-18-11-10-16-19-14-8-4-5-9-15(14)20-16/h2-9,18H,10-11H2,1H3,(H,19,20)(H2,21,22,23)
InChIKey
KZSRBZAPQQHVGC-UHFFFAOYSA-N
Compound name
1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-(2-methylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1361 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.14338 173.2
[M+Na]+ 348.12532 184.5
[M+NH4]+ 343.16992 180.7
[M+K]+ 364.09926 176.9
[M-H]- 324.12882 178.0
[M+Na-2H]- 346.11077 180.8
[M]+ 325.13555 176.4
[M]- 325.13665 176.4
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.