CID 3072997

145410-51-1

Structural Information

Molecular Formula
C30H42N2O
SMILES
CCC1=C(C(=CC=C1)CC)NC(=O)N(CC2CCCCC2)C3CCC(CC3)C4=CC=CC=C4
InChI
InChI=1S/C30H42N2O/c1-3-24-16-11-17-25(4-2)29(24)31-30(33)32(22-23-12-7-5-8-13-23)28-20-18-27(19-21-28)26-14-9-6-10-15-26/h6,9-11,14-17,23,27-28H,3-5,7-8,12-13,18-22H2,1-2H3,(H,31,33)
InChIKey
JEGOWZPPTDFWFH-UHFFFAOYSA-N
Compound name
1-(cyclohexylmethyl)-3-(2,6-diethylphenyl)-1-(4-phenylcyclohexyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

446.3297 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.33698 214.6
[M+Na]+ 469.31892 211.5
[M-H]- 445.32242 224.6
[M+NH4]+ 464.36352 221.9
[M+K]+ 485.29286 206.1
[M+H-H2O]+ 429.32696 202.2
[M+HCOO]- 491.32790 229.0
[M+CH3COO]- 505.34355 241.0
[M+Na-2H]- 467.30437 209.8
[M]+ 446.32915 205.8
[M]- 446.33025 205.8
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