CID 2063394

4-methyl-n-(1-(4-morpholinylcarbonyl)-2-(3-nitrophenyl)vinyl)benzamide

Structural Information

Molecular Formula
C21H21N3O5
SMILES
CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)N3CCOCC3
InChI
InChI=1S/C21H21N3O5/c1-15-5-7-17(8-6-15)20(25)22-19(21(26)23-9-11-29-12-10-23)14-16-3-2-4-18(13-16)24(27)28/h2-8,13-14H,9-12H2,1H3,(H,22,25)/b19-14-
InChIKey
DQPGHDXZEFZQPN-RGEXLXHISA-N
Compound name
4-methyl-N-[(Z)-3-morpholin-4-yl-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.14813 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.15541 190.2
[M+Na]+ 418.13735 201.4
[M+NH4]+ 413.18195 195.0
[M+K]+ 434.11129 199.1
[M-H]- 394.14085 196.7
[M+Na-2H]- 416.12280 196.1
[M]+ 395.14758 193.1
[M]- 395.14868 193.1
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.