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 205.6
[M+Na]+ 440.26722 209.1
[M-H]- 416.27072 214.8
[M+NH4]+ 435.31182 220.1
[M+K]+ 456.24116 203.6
[M+H-H2O]+ 400.27526 196.5
[M+HCOO]- 462.27620 225.0
[M+CH3COO]- 476.29185 213.9
[M+Na-2H]- 438.25267 202.6
[M]+ 417.27745 205.0
[M]- 417.27855 205.0
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.