CID 3072934

145131-60-8

Structural Information

Molecular Formula
C34H41N3O
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC2(CCCC2)C3=C(N(C4=CC=CC=C43)C)C5=CC=CC=C5
InChI
InChI=1S/C34H41N3O/c1-23(2)26-17-13-18-27(24(3)4)31(26)36-33(38)35-22-34(20-11-12-21-34)30-28-16-9-10-19-29(28)37(5)32(30)25-14-7-6-8-15-25/h6-10,13-19,23-24H,11-12,20-22H2,1-5H3,(H2,35,36,38)
InChIKey
RFTJJOFLQLBRSX-UHFFFAOYSA-N
Compound name
1-[2,6-di(propan-2-yl)phenyl]-3-[[1-(1-methyl-2-phenylindol-3-yl)cyclopentyl]methyl]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 229.3
[M+Na]+ 530.31417 232.4
[M-H]- 506.31767 241.4
[M+NH4]+ 525.35877 239.8
[M+K]+ 546.28811 225.5
[M+H-H2O]+ 490.32221 218.7
[M+HCOO]- 552.32315 247.2
[M+CH3COO]- 566.33880 236.0
[M+Na-2H]- 528.29962 223.4
[M]+ 507.32440 229.2
[M]- 507.32550 229.2
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.