CID 53431638

137246-21-0

Structural Information

Molecular Formula
C22H25NO
SMILES
CCC(CC=CC1=CC=CC=C1)(C2=CC=CC=C2)NC(=O)C3CC3
InChI
InChI=1S/C22H25NO/c1-2-22(20-13-7-4-8-14-20,23-21(24)19-15-16-19)17-9-12-18-10-5-3-6-11-18/h3-14,19H,2,15-17H2,1H3,(H,23,24)
InChIKey
SUMKHMAZJYVWLF-UHFFFAOYSA-N
Compound name
N-(3,6-diphenylhex-5-en-3-yl)cyclopropanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.1936 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.200876 173.0
[M+Na]+ 342.182818 178.0
[M-H]- 318.186324 182.0
[M+NH4]+ 337.227423 181.9
[M+K]+ 358.156758 172.5
[M+H-H2O]+ 302.190860 164.6
[M+HCOO]- 364.191801 194.8
[M+CH3COO]- 378.207451 211.7
[M+Na-2H]- 340.168266 177.7
[M]+ 319.19305142 174.1
[M]- 319.19414858 174.1
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.