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]+ 454.285276 217.3
[M+Na]+ 476.267218 220.8
[M-H]- 452.270724 226.3
[M+NH4]+ 471.311823 226.4
[M+K]+ 492.241158 214.6
[M+H-H2O]+ 436.275260 206.5
[M+HCOO]- 498.276201 236.2
[M+CH3COO]- 512.291851 243.1
[M+Na-2H]- 474.252666 214.2
[M]+ 453.27745142 218.9
[M]- 453.27854858 218.9
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.