CID 3060196

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

Structural Information

Molecular Formula
C21H23N3O5
SMILES
CCN(C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=CC=C2)C(=O)CN3CCOCC3
InChI
InChI=1S/C21H23N3O5/c1-2-23(20(25)15-22-10-12-29-13-11-22)19-9-8-17(24(27)28)14-18(19)21(26)16-6-4-3-5-7-16/h3-9,14H,2,10-13,15H2,1H3
InChIKey
GUJHVUIFYMUIIB-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-nitrophenyl)-N-ethyl-2-morpholin-4-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

397.16376 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.17104 193.8
[M+Na]+ 420.15298 194.1
[M-H]- 396.15648 202.4
[M+NH4]+ 415.19758 199.8
[M+K]+ 436.12692 188.9
[M+H-H2O]+ 380.16102 186.8
[M+HCOO]- 442.16196 211.7
[M+CH3COO]- 456.17761 220.3
[M+Na-2H]- 418.13843 196.3
[M]+ 397.16321 190.7
[M]- 397.16431 190.7
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