CID 3072897

145131-23-3

Structural Information

Molecular Formula
C26H35N3O
SMILES
CCC(CNC(=O)NC1=C(C=CC=C1C(C)C)C(C)C)C2=CN(C3=CC=CC=C32)C
InChI
InChI=1S/C26H35N3O/c1-7-19(23-16-29(6)24-14-9-8-11-22(23)24)15-27-26(30)28-25-20(17(2)3)12-10-13-21(25)18(4)5/h8-14,16-19H,7,15H2,1-6H3,(H2,27,28,30)
InChIKey
AYIQHRJVMJNQAZ-UHFFFAOYSA-N
Compound name
1-[2,6-di(propan-2-yl)phenyl]-3-[2-(1-methylindol-3-yl)butyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.278 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.28528 205.5
[M+Na]+ 428.26722 216.5
[M+NH4]+ 423.31182 211.9
[M+K]+ 444.24116 211.1
[M-H]- 404.27072 209.9
[M+Na-2H]- 426.25267 210.4
[M]+ 405.27745 208.2
[M]- 405.27855 208.2
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.