CID 3062049

4-morpholineacetamide, n-(2-benzoyl-4-nitrophenyl)-n-cyclopropyl-

Structural Information

Molecular Formula
C22H23N3O5
SMILES
C1CC1N(C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3)C(=O)CN4CCOCC4
InChI
InChI=1S/C22H23N3O5/c26-21(15-23-10-12-30-13-11-23)24(17-6-7-17)20-9-8-18(25(28)29)14-19(20)22(27)16-4-2-1-3-5-16/h1-5,8-9,14,17H,6-7,10-13,15H2
InChIKey
SPDPKQYXYMCPRX-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-nitrophenyl)-N-cyclopropyl-2-morpholin-4-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

409.16376 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.17104 188.3
[M+Na]+ 432.15298 190.1
[M-H]- 408.15648 200.0
[M+NH4]+ 427.19758 189.6
[M+K]+ 448.12692 184.2
[M+H-H2O]+ 392.16102 182.0
[M+HCOO]- 454.16196 206.7
[M+CH3COO]- 468.17761 223.4
[M+Na-2H]- 430.13843 191.3
[M]+ 409.16321 186.7
[M]- 409.16431 186.7
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