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 206.4
[M+Na]+ 428.26722 210.8
[M-H]- 404.27072 212.6
[M+NH4]+ 423.31182 218.4
[M+K]+ 444.24116 205.8
[M+H-H2O]+ 388.27526 197.2
[M+HCOO]- 450.27620 225.7
[M+CH3COO]- 464.29185 235.5
[M+Na-2H]- 426.25267 203.0
[M]+ 405.27745 209.4
[M]- 405.27855 209.4
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.