CID 3061166

Hydrazinecarbothioamide, 2-(2-(1h-benzimidazol-2-yl)ethyl)-n-(3-chlorophenyl)-

Structural Information

Molecular Formula
C16H16ClN5S
SMILES
C1=CC=C2C(=C1)NC(=N2)CCNNC(=S)NC3=CC(=CC=C3)Cl
InChI
InChI=1S/C16H16ClN5S/c17-11-4-3-5-12(10-11)19-16(23)22-18-9-8-15-20-13-6-1-2-7-14(13)21-15/h1-7,10,18H,8-9H2,(H,20,21)(H2,19,22,23)
InChIKey
GMRLRKLPTYRWMO-UHFFFAOYSA-N
Compound name
1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-(3-chlorophenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.08148 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.08876 176.0
[M+Na]+ 368.07070 188.3
[M+NH4]+ 363.11530 183.9
[M+K]+ 384.04464 180.0
[M-H]- 344.07420 180.8
[M+Na-2H]- 366.05615 183.9
[M]+ 345.08093 179.7
[M]- 345.08203 179.7
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.