CID 5929965

307953-18-0

Structural Information

Molecular Formula
C22H24N2O4
SMILES
COC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CC=C2)/C(=O)NCC3CCCO3
InChI
InChI=1S/C22H24N2O4/c1-27-18-11-9-17(10-12-18)21(25)24-20(14-16-6-3-2-4-7-16)22(26)23-15-19-8-5-13-28-19/h2-4,6-7,9-12,14,19H,5,8,13,15H2,1H3,(H,23,26)(H,24,25)/b20-14+
InChIKey
FHQITKDTJFHFCK-XSFVSMFZSA-N
Compound name
4-methoxy-N-[(E)-3-oxo-3-(oxolan-2-ylmethylamino)-1-phenylprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.1736 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.180876 192.7
[M+Na]+ 403.162818 193.7
[M-H]- 379.166324 201.7
[M+NH4]+ 398.207423 202.8
[M+K]+ 419.136758 191.3
[M+H-H2O]+ 363.170860 183.2
[M+HCOO]- 425.171801 213.0
[M+CH3COO]- 439.187451 220.4
[M+Na-2H]- 401.148266 192.0
[M]+ 380.17305142 190.9
[M]- 380.17414858 190.9
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.