CID 3072885

145131-11-9

Structural Information

Molecular Formula
C27H35N3O
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC2(CCCC2)N3C=CC4=CC=CC=C43
InChI
InChI=1S/C27H35N3O/c1-19(2)22-11-9-12-23(20(3)4)25(22)29-26(31)28-18-27(15-7-8-16-27)30-17-14-21-10-5-6-13-24(21)30/h5-6,9-14,17,19-20H,7-8,15-16,18H2,1-4H3,(H2,28,29,31)
InChIKey
WPVMHRFUKNCPJR-UHFFFAOYSA-N
Compound name
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-indol-1-ylcyclopentyl)methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.278 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.28528 205.7
[M+Na]+ 440.26722 215.6
[M+NH4]+ 435.31182 214.2
[M+K]+ 456.24116 209.8
[M-H]- 416.27072 211.7
[M+Na-2H]- 438.25267 213.1
[M]+ 417.27745 208.8
[M]- 417.27855 208.8
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.