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]+ 384.155406 189.1
[M+Na]+ 406.137348 189.9
[M-H]- 382.140854 197.9
[M+NH4]+ 401.181953 195.7
[M+K]+ 422.111288 184.9
[M+H-H2O]+ 366.145390 182.4
[M+HCOO]- 428.146331 207.4
[M+CH3COO]- 442.161981 217.4
[M+Na-2H]- 404.122796 192.1
[M]+ 383.14758142 185.7
[M]- 383.14867858 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