CID 3072915

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

Structural Information

Molecular Formula
C31H37N3O
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC(CC2=CC=CC=C2)C3=CN(C4=CC=CC=C43)C
InChI
InChI=1S/C31H37N3O/c1-21(2)25-15-11-16-26(22(3)4)30(25)33-31(35)32-19-24(18-23-12-7-6-8-13-23)28-20-34(5)29-17-10-9-14-27(28)29/h6-17,20-22,24H,18-19H2,1-5H3,(H2,32,33,35)
InChIKey
UWVHZZNRGQZPJC-UHFFFAOYSA-N
Compound name
1-[2,6-di(propan-2-yl)phenyl]-3-[2-(1-methylindol-3-yl)-3-phenylpropyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.29367 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.30095 222.3
[M+Na]+ 490.28289 235.1
[M+NH4]+ 485.32749 228.9
[M+K]+ 506.25683 228.1
[M-H]- 466.28639 229.4
[M+Na-2H]- 488.26834 229.9
[M]+ 467.29312 226.1
[M]- 467.29422 226.1
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.