CID 16077392

1-(4-chlorophenyl)-3-(2-phenyl-1-propyl-benzimidazol-5-yl)thiourea

Structural Information

Molecular Formula
C23H21ClN4S
SMILES
CCCN1C2=C(C=C(C=C2)NC(=S)NC3=CC=C(C=C3)Cl)N=C1C4=CC=CC=C4
InChI
InChI=1S/C23H21ClN4S/c1-2-14-28-21-13-12-19(26-23(29)25-18-10-8-17(24)9-11-18)15-20(21)27-22(28)16-6-4-3-5-7-16/h3-13,15H,2,14H2,1H3,(H2,25,26,29)
InChIKey
PVWPUAQUHBYIQI-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(2-phenyl-1-propylbenzimidazol-5-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.11755 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.12483 199.5
[M+Na]+ 443.10677 209.2
[M-H]- 419.11027 208.1
[M+NH4]+ 438.15137 211.1
[M+K]+ 459.08071 199.5
[M+H-H2O]+ 403.11481 190.2
[M+HCOO]- 465.11575 213.3
[M+CH3COO]- 479.13140 209.0
[M+Na-2H]- 441.09222 201.1
[M]+ 420.11700 204.7
[M]- 420.11810 204.7
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.