CID 3072906

145131-32-4

Structural Information

Molecular Formula
C33H39N3O
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC2(CCCC2)C3=CN(C4=CC=CC=C43)C5=CC=CC=C5
InChI
InChI=1S/C33H39N3O/c1-23(2)26-16-12-17-27(24(3)4)31(26)35-32(37)34-22-33(19-10-11-20-33)29-21-36(25-13-6-5-7-14-25)30-18-9-8-15-28(29)30/h5-9,12-18,21,23-24H,10-11,19-20,22H2,1-4H3,(H2,34,35,37)
InChIKey
BYLKFLVZRAZRBC-UHFFFAOYSA-N
Compound name
1-[2,6-di(propan-2-yl)phenyl]-3-[[1-(1-phenylindol-3-yl)cyclopentyl]methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.30933 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.31661 224.8
[M+Na]+ 516.29855 227.4
[M-H]- 492.30205 236.7
[M+NH4]+ 511.34315 235.5
[M+K]+ 532.27249 220.6
[M+H-H2O]+ 476.30659 214.0
[M+HCOO]- 538.30753 243.1
[M+CH3COO]- 552.32318 231.5
[M+Na-2H]- 514.28400 220.0
[M]+ 493.30878 223.9
[M]- 493.30988 223.9
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.