CID 16077394

1-(4-chlorophenyl)-3-[1-cyclopentyl-2-(4-fluorophenyl)benzimidazol-5-yl]thiourea

Structural Information

Molecular Formula
C25H22ClFN4S
SMILES
C1CCC(C1)N2C3=C(C=C(C=C3)NC(=S)NC4=CC=C(C=C4)Cl)N=C2C5=CC=C(C=C5)F
InChI
InChI=1S/C25H22ClFN4S/c26-17-7-11-19(12-8-17)28-25(32)29-20-13-14-23-22(15-20)30-24(16-5-9-18(27)10-6-16)31(23)21-3-1-2-4-21/h5-15,21H,1-4H2,(H2,28,29,32)
InChIKey
FUXSTPFDWJMVHL-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-[1-cyclopentyl-2-(4-fluorophenyl)benzimidazol-5-yl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.12378 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.13106 208.6
[M+Na]+ 487.11300 217.8
[M-H]- 463.11650 219.3
[M+NH4]+ 482.15760 220.0
[M+K]+ 503.08694 208.0
[M+H-H2O]+ 447.12104 198.8
[M+HCOO]- 509.12198 220.3
[M+CH3COO]- 523.13763 217.3
[M+Na-2H]- 485.09845 205.5
[M]+ 464.12323 210.4
[M]- 464.12433 210.4
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.