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 213.2
[M+Na]+ 440.26722 216.2
[M-H]- 416.27072 221.8
[M+NH4]+ 435.31182 219.7
[M+K]+ 456.24116 214.1
[M+H-H2O]+ 400.27526 198.1
[M+HCOO]- 462.27620 230.8
[M+CH3COO]- 476.29185 237.0
[M+Na-2H]- 438.25267 210.1
[M]+ 417.27745 222.7
[M]- 417.27855 222.7
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.