CID 2232798

297145-47-2

Structural Information

Molecular Formula
C20H22N2O4
SMILES
COCCNC(=O)/C(=C/C1=CC=C(C=C1)OC)/NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C20H22N2O4/c1-25-13-12-21-20(24)18(14-15-8-10-17(26-2)11-9-15)22-19(23)16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,21,24)(H,22,23)/b18-14-
InChIKey
VAGCJPGMJPXOQM-JXAWBTAJSA-N
Compound name
N-[(Z)-3-(2-methoxyethylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.15796 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.165236 185.3
[M+Na]+ 377.147178 188.1
[M-H]- 353.150684 191.0
[M+NH4]+ 372.191783 196.6
[M+K]+ 393.121118 185.2
[M+H-H2O]+ 337.155220 175.8
[M+HCOO]- 399.156161 208.0
[M+CH3COO]- 413.171811 217.7
[M+Na-2H]- 375.132626 186.7
[M]+ 354.15741142 186.8
[M]- 354.15850858 186.8
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

No patent data available for this compound.