CID 3072996

145410-26-0

Structural Information

Molecular Formula
C32H40N2O
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)N(CC2=CC=CC=C2)C3CCC(CC3)C4=CC=CC=C4
InChI
InChI=1S/C32H40N2O/c1-23(2)29-16-11-17-30(24(3)4)31(29)33-32(35)34(22-25-12-7-5-8-13-25)28-20-18-27(19-21-28)26-14-9-6-10-15-26/h5-17,23-24,27-28H,18-22H2,1-4H3,(H,33,35)
InChIKey
MMABCDHYXCTBBS-UHFFFAOYSA-N
Compound name
1-benzyl-3-[2,6-di(propan-2-yl)phenyl]-1-(4-phenylcyclohexyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

468.31406 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.32134 223.4
[M+Na]+ 491.30328 235.8
[M+NH4]+ 486.34788 231.0
[M+K]+ 507.27722 226.3
[M-H]- 467.30678 233.4
[M+Na-2H]- 489.28873 233.1
[M]+ 468.31351 228.0
[M]- 468.31461 228.0
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

patents stripe