CID 3072900

145131-26-6

Structural Information

Molecular Formula
C28H39N3O
SMILES
CCC(CC)(CNC(=O)NC1=C(C=CC=C1C(C)C)C(C)C)C2=CN(C3=CC=CC=C32)C
InChI
InChI=1S/C28H39N3O/c1-8-28(9-2,24-17-31(7)25-16-11-10-13-23(24)25)18-29-27(32)30-26-21(19(3)4)14-12-15-22(26)20(5)6/h10-17,19-20H,8-9,18H2,1-7H3,(H2,29,30,32)
InChIKey
CYDKXRLIHVSDLU-UHFFFAOYSA-N
Compound name
1-[2,6-di(propan-2-yl)phenyl]-3-[2-ethyl-2-(1-methylindol-3-yl)butyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.30933 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.31661 213.9
[M+Na]+ 456.29855 224.5
[M+NH4]+ 451.34315 219.9
[M+K]+ 472.27249 219.1
[M-H]- 432.30205 217.9
[M+Na-2H]- 454.28400 218.7
[M]+ 433.30878 216.5
[M]- 433.30988 216.5
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.