CID 16077391

1-phenyl-3-(2-phenyl-1-propyl-benzimidazol-5-yl)thiourea

Structural Information

Molecular Formula
C23H22N4S
SMILES
CCCN1C2=C(C=C(C=C2)NC(=S)NC3=CC=CC=C3)N=C1C4=CC=CC=C4
InChI
InChI=1S/C23H22N4S/c1-2-15-27-21-14-13-19(25-23(28)24-18-11-7-4-8-12-18)16-20(21)26-22(27)17-9-5-3-6-10-17/h3-14,16H,2,15H2,1H3,(H2,24,25,28)
InChIKey
KOHLHJKBLPXVCO-UHFFFAOYSA-N
Compound name
1-phenyl-3-(2-phenyl-1-propylbenzimidazol-5-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.15652 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.16380 191.2
[M+Na]+ 409.14574 199.5
[M-H]- 385.14924 199.7
[M+NH4]+ 404.19034 203.0
[M+K]+ 425.11968 191.0
[M+H-H2O]+ 369.15378 181.4
[M+HCOO]- 431.15472 209.7
[M+CH3COO]- 445.17037 200.9
[M+Na-2H]- 407.13119 194.2
[M]+ 386.15597 193.8
[M]- 386.15707 193.8
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.