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 171.0
[M+Na]+ 348.12532 178.4
[M-H]- 324.12882 175.2
[M+NH4]+ 343.16992 184.6
[M+K]+ 364.09926 170.9
[M+H-H2O]+ 308.13336 162.6
[M+HCOO]- 370.13430 189.8
[M+CH3COO]- 384.14995 181.0
[M+Na-2H]- 346.11077 176.0
[M]+ 325.13555 171.4
[M]- 325.13665 171.4
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.