CID 3072913

145131-39-1

Structural Information

Molecular Formula
C31H45N3O
SMILES
CCCCCCCC(CNC(=O)NC1=C(C=CC=C1C(C)C)C(C)C)C2=CN(C3=CC=CC=C32)C
InChI
InChI=1S/C31H45N3O/c1-7-8-9-10-11-15-24(28-21-34(6)29-19-13-12-16-27(28)29)20-32-31(35)33-30-25(22(2)3)17-14-18-26(30)23(4)5/h12-14,16-19,21-24H,7-11,15,20H2,1-6H3,(H2,32,33,35)
InChIKey
RWYJLSJUTLZODA-UHFFFAOYSA-N
Compound name
1-[2,6-di(propan-2-yl)phenyl]-3-[2-(1-methylindol-3-yl)nonyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.35626 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.36354 227.8
[M+Na]+ 498.34548 237.7
[M+NH4]+ 493.39008 233.3
[M+K]+ 514.31942 231.1
[M-H]- 474.34898 232.0
[M+Na-2H]- 496.33093 231.4
[M]+ 475.35571 230.2
[M]- 475.35681 230.2
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.