CID 3072908

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

Structural Information

Molecular Formula
C32H47N3O
SMILES
CCCCC(CCCC)(CNC(=O)NC1=C(C=CC=C1C(C)C)C(C)C)C2=CN(C3=CC=CC=C32)C
InChI
InChI=1S/C32H47N3O/c1-8-10-19-32(20-11-9-2,28-21-35(7)29-18-13-12-15-27(28)29)22-33-31(36)34-30-25(23(3)4)16-14-17-26(30)24(5)6/h12-18,21,23-24H,8-11,19-20,22H2,1-7H3,(H2,33,34,36)
InChIKey
JGRKFWYDBAQUSF-UHFFFAOYSA-N
Compound name
1-[2-butyl-2-(1-methylindol-3-yl)hexyl]-3-[2,6-di(propan-2-yl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.37192 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.37920 232.9
[M+Na]+ 512.36114 235.1
[M-H]- 488.36464 238.0
[M+NH4]+ 507.40574 241.4
[M+K]+ 528.33508 229.0
[M+H-H2O]+ 472.36918 223.0
[M+HCOO]- 534.37012 249.3
[M+CH3COO]- 548.38577 252.4
[M+Na-2H]- 510.34659 228.5
[M]+ 489.37137 237.9
[M]- 489.37247 237.9
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.