CID 3045899

1-(1-(4,4-bis(p-fluorophenyl)-2-cyclohexyl)-4-piperidinyl)-5-chloro-2-benzimidazolinone

Structural Information

Molecular Formula
C30H28ClF2N3O
SMILES
C1CC(C=CC1N2CCC(CC2)N3C4=C(C=C(C=C4)Cl)NC3=O)(C5=CC=C(C=C5)F)C6=CC=C(C=C6)F
InChI
InChI=1S/C30H28ClF2N3O/c31-22-5-10-28-27(19-22)34-29(37)36(28)26-13-17-35(18-14-26)25-11-15-30(16-12-25,20-1-6-23(32)7-2-20)21-3-8-24(33)9-4-21/h1-11,15,19,25-26H,12-14,16-18H2,(H,34,37)
InChIKey
XQUMRJWDSIVOGN-UHFFFAOYSA-N
Compound name
3-[1-[4,4-bis(4-fluorophenyl)cyclohex-2-en-1-yl]piperidin-4-yl]-6-chloro-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

519.1889 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.19618 228.5
[M+Na]+ 542.17812 244.8
[M+NH4]+ 537.22272 236.3
[M+K]+ 558.15206 233.4
[M-H]- 518.18162 234.9
[M+Na-2H]- 540.16357 238.1
[M]+ 519.18835 233.1
[M]- 519.18945 233.1
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

patents stripe