CID 3072884

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

Structural Information

Molecular Formula
C28H37N3O
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC2(CCCC2)C3=CN(C4=CC=CC=C43)C
InChI
InChI=1S/C28H37N3O/c1-19(2)21-12-10-13-22(20(3)4)26(21)30-27(32)29-18-28(15-8-9-16-28)24-17-31(5)25-14-7-6-11-23(24)25/h6-7,10-14,17,19-20H,8-9,15-16,18H2,1-5H3,(H2,29,30,32)
InChIKey
NSSIOMUVMONBEK-UHFFFAOYSA-N
Compound name
1-[2,6-di(propan-2-yl)phenyl]-3-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

431.29367 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.30095 209.9
[M+Na]+ 454.28289 220.1
[M+NH4]+ 449.32749 218.3
[M+K]+ 470.25683 214.2
[M-H]- 430.28639 216.0
[M+Na-2H]- 452.26834 216.9
[M]+ 431.29312 213.1
[M]- 431.29422 213.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.