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 220.7
[M+Na]+ 491.30328 219.1
[M-H]- 467.30678 231.7
[M+NH4]+ 486.34788 227.1
[M+K]+ 507.27722 214.0
[M+H-H2O]+ 451.31132 208.3
[M+HCOO]- 513.31226 236.6
[M+CH3COO]- 527.32791 247.3
[M+Na-2H]- 489.28873 215.6
[M]+ 468.31351 215.7
[M]- 468.31461 215.7
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