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

5
Patents

409.16376 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.171036 188.3
[M+Na]+ 432.152978 190.1
[M-H]- 408.156484 200.0
[M+NH4]+ 427.197583 189.6
[M+K]+ 448.126918 184.2
[M+H-H2O]+ 392.161020 182.0
[M+HCOO]- 454.161961 206.7
[M+CH3COO]- 468.177611 223.4
[M+Na-2H]- 430.138426 191.3
[M]+ 409.16321142 186.7
[M]- 409.16430858 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