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]+ 381.18088 192.7
[M+Na]+ 403.16282 193.7
[M-H]- 379.16632 201.7
[M+NH4]+ 398.20742 202.8
[M+K]+ 419.13676 191.3
[M+H-H2O]+ 363.17086 183.2
[M+HCOO]- 425.17180 213.0
[M+CH3COO]- 439.18745 220.4
[M+Na-2H]- 401.14827 192.0
[M]+ 380.17305 190.9
[M]- 380.17415 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.