CID 3072921

145131-47-1

Structural Information

Molecular Formula
C34H40FN3O
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC2(CCCC2)C3=CN(C4=CC=CC=C43)CC5=CC=C(C=C5)F
InChI
InChI=1S/C34H40FN3O/c1-23(2)27-11-9-12-28(24(3)4)32(27)37-33(39)36-22-34(18-7-8-19-34)30-21-38(31-13-6-5-10-29(30)31)20-25-14-16-26(35)17-15-25/h5-6,9-17,21,23-24H,7-8,18-20,22H2,1-4H3,(H2,36,37,39)
InChIKey
VHUDUIOMUUETFO-UHFFFAOYSA-N
Compound name
1-[2,6-di(propan-2-yl)phenyl]-3-[[1-[1-[(4-fluorophenyl)methyl]indol-3-yl]cyclopentyl]methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

525.31555 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.32283 234.4
[M+Na]+ 548.30477 245.4
[M+NH4]+ 543.34937 242.0
[M+K]+ 564.27871 238.0
[M-H]- 524.30827 241.4
[M+Na-2H]- 546.29022 242.4
[M]+ 525.31500 238.0
[M]- 525.31610 238.0
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.