CID 3072907

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

Structural Information

Molecular Formula
C27H35N3O
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC2(CCC2)C3=CN(C4=CC=CC=C43)C
InChI
InChI=1S/C27H35N3O/c1-18(2)20-11-8-12-21(19(3)4)25(20)29-26(31)28-17-27(14-9-15-27)23-16-30(5)24-13-7-6-10-22(23)24/h6-8,10-13,16,18-19H,9,14-15,17H2,1-5H3,(H2,28,29,31)
InChIKey
SEBKBSAEZUJPHP-UHFFFAOYSA-N
Compound name
1-[2,6-di(propan-2-yl)phenyl]-3-[[1-(1-methylindol-3-yl)cyclobutyl]methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.278 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.28528 209.1
[M+Na]+ 440.26722 216.0
[M+NH4]+ 435.31182 213.4
[M+K]+ 456.24116 209.9
[M-H]- 416.27072 212.2
[M+Na-2H]- 438.25267 213.8
[M]+ 417.27745 209.9
[M]- 417.27855 209.9
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.