CID 16077393

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

Structural Information

Molecular Formula
C25H23FN4S
SMILES
C1CCC(C1)N2C3=C(C=C(C=C3)NC(=S)NC4=CC=CC=C4)N=C2C5=CC=C(C=C5)F
InChI
InChI=1S/C25H23FN4S/c26-18-12-10-17(11-13-18)24-29-22-16-20(28-25(31)27-19-6-2-1-3-7-19)14-15-23(22)30(24)21-8-4-5-9-21/h1-3,6-7,10-16,21H,4-5,8-9H2,(H2,27,28,31)
InChIKey
RLHAGBADOYOYBW-UHFFFAOYSA-N
Compound name
1-[1-cyclopentyl-2-(4-fluorophenyl)benzimidazol-5-yl]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.16275 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.17003 199.0
[M+Na]+ 453.15197 206.7
[M-H]- 429.15547 209.6
[M+NH4]+ 448.19657 210.6
[M+K]+ 469.12591 198.0
[M+H-H2O]+ 413.16001 188.8
[M+HCOO]- 475.16095 215.4
[M+CH3COO]- 489.17660 207.9
[M+Na-2H]- 451.13742 197.3
[M]+ 430.16220 197.9
[M]- 430.16330 197.9
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.