CID 3063050

N-((1-ethyl-4,5,6,7-tetrahydro-1h-benzimidazol-5-yl)methyl)-n'-phenylthiourea

Structural Information

Molecular Formula
C17H22N4S
SMILES
CCN1C=NC2=C1CCC(C2)CNC(=S)NC3=CC=CC=C3
InChI
InChI=1S/C17H22N4S/c1-2-21-12-19-15-10-13(8-9-16(15)21)11-18-17(22)20-14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3,(H2,18,20,22)
InChIKey
HJEUKWLVBIFPHY-UHFFFAOYSA-N
Compound name
1-[(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methyl]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.15652 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.16380 172.8
[M+Na]+ 337.14574 183.2
[M+NH4]+ 332.19034 181.1
[M+K]+ 353.11968 175.4
[M-H]- 313.14924 177.2
[M+Na-2H]- 335.13119 178.7
[M]+ 314.15597 175.8
[M]- 314.15707 175.8
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.