CID 3072895

Urea, n-(2,6-bis(1-methylethyl)phenyl)-n'-((1-(1-(phenylmethyl)-1h-indol-3-yl)cyclopentyl)methyl)-

Structural Information

Molecular Formula
C34H41N3O
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC2(CCCC2)C3=CN(C4=CC=CC=C43)CC5=CC=CC=C5
InChI
InChI=1S/C34H41N3O/c1-24(2)27-16-12-17-28(25(3)4)32(27)36-33(38)35-23-34(19-10-11-20-34)30-22-37(21-26-13-6-5-7-14-26)31-18-9-8-15-29(30)31/h5-9,12-18,22,24-25H,10-11,19-21,23H2,1-4H3,(H2,35,36,38)
InChIKey
PMRFAWFYLZOOHW-UHFFFAOYSA-N
Compound name
1-[[1-(1-benzylindol-3-yl)cyclopentyl]methyl]-3-[2,6-di(propan-2-yl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

507.32495 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.33223 230.8
[M+Na]+ 530.31417 242.5
[M+NH4]+ 525.35877 239.3
[M+K]+ 546.28811 234.9
[M-H]- 506.31767 239.4
[M+Na-2H]- 528.29962 240.0
[M]+ 507.32440 235.1
[M]- 507.32550 235.1
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

No patent data available for this compound.