CID 3072892

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

Structural Information

Molecular Formula
C27H37N3O
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC(C2=CN(C3=CC=CC=C32)C)C(C)C
InChI
InChI=1S/C27H37N3O/c1-17(2)20-12-10-13-21(18(3)4)26(20)29-27(31)28-15-23(19(5)6)24-16-30(7)25-14-9-8-11-22(24)25/h8-14,16-19,23H,15H2,1-7H3,(H2,28,29,31)
InChIKey
JIXKOEWCARUIAZ-UHFFFAOYSA-N
Compound name
1-[2,6-di(propan-2-yl)phenyl]-3-[3-methyl-2-(1-methylindol-3-yl)butyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.29367 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.30095 209.3
[M+Na]+ 442.28289 219.8
[M+NH4]+ 437.32749 215.4
[M+K]+ 458.25683 215.0
[M-H]- 418.28639 213.5
[M+Na-2H]- 440.26834 213.7
[M]+ 419.29312 211.8
[M]- 419.29422 211.8
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.