CID 3072904

145131-30-2

Structural Information

Molecular Formula
C30H35N3O
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC(C2=CC=CC=C2)C3=CN(C4=CC=CC=C43)C
InChI
InChI=1S/C30H35N3O/c1-20(2)23-15-11-16-24(21(3)4)29(23)32-30(34)31-18-26(22-12-7-6-8-13-22)27-19-33(5)28-17-10-9-14-25(27)28/h6-17,19-21,26H,18H2,1-5H3,(H2,31,32,34)
InChIKey
KNMAZRDMDMZVNX-UHFFFAOYSA-N
Compound name
1-[2,6-di(propan-2-yl)phenyl]-3-[2-(1-methylindol-3-yl)-2-phenylethyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.278 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.28528 217.8
[M+Na]+ 476.26722 230.9
[M+NH4]+ 471.31182 224.7
[M+K]+ 492.24116 224.0
[M-H]- 452.27072 225.0
[M+Na-2H]- 474.25267 225.7
[M]+ 453.27745 221.7
[M]- 453.27855 221.7
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.