CID 3060181

4-morpholineacetamide, n-(2-benzoyl-4-nitrophenyl)-n-2-propenyl-, (z)-2-butenedioate (1:1)

Structural Information

Molecular Formula
C22H23N3O5
SMILES
C=CCN(C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=CC=C2)C(=O)CN3CCOCC3
InChI
InChI=1S/C22H23N3O5/c1-2-10-24(21(26)16-23-11-13-30-14-12-23)20-9-8-18(25(28)29)15-19(20)22(27)17-6-4-3-5-7-17/h2-9,15H,1,10-14,16H2
InChIKey
FHLVXXCKMFGEDQ-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-nitrophenyl)-2-morpholin-4-yl-N-prop-2-enylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

409.16376 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.171036 197.5
[M+Na]+ 432.152978 197.7
[M-H]- 408.156484 206.0
[M+NH4]+ 427.197583 203.0
[M+K]+ 448.126918 191.7
[M+H-H2O]+ 392.161020 190.5
[M+HCOO]- 454.161961 215.3
[M+CH3COO]- 468.177611 222.4
[M+Na-2H]- 430.138426 199.5
[M]+ 409.16321142 194.0
[M]- 409.16430858 194.0
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

patents stripe