CID 3060175

4-morpholineacetamide, n-(2-benzoyl-4-nitrophenyl)-n-methyl-, monohydrochloride

Structural Information

Molecular Formula
C20H21N3O5
SMILES
CN(C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=CC=C2)C(=O)CN3CCOCC3
InChI
InChI=1S/C20H21N3O5/c1-21(19(24)14-22-9-11-28-12-10-22)18-8-7-16(23(26)27)13-17(18)20(25)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3
InChIKey
DSYNEMBBMVDOEB-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-nitrophenyl)-N-methyl-2-morpholin-4-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

383.14813 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.15541 189.1
[M+Na]+ 406.13735 189.9
[M-H]- 382.14085 197.9
[M+NH4]+ 401.18195 195.7
[M+K]+ 422.11129 184.9
[M+H-H2O]+ 366.14539 182.4
[M+HCOO]- 428.14633 207.4
[M+CH3COO]- 442.16198 217.4
[M+Na-2H]- 404.12280 192.1
[M]+ 383.14758 185.7
[M]- 383.14868 185.7
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