CID 3062051

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

Structural Information

Molecular Formula
C25H29N3O5
SMILES
C1CCC(CC1)N(C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3)C(=O)CN4CCOCC4
InChI
InChI=1S/C25H29N3O5/c29-24(18-26-13-15-33-16-14-26)27(20-9-5-2-6-10-20)23-12-11-21(28(31)32)17-22(23)25(30)19-7-3-1-4-8-19/h1,3-4,7-8,11-12,17,20H,2,5-6,9-10,13-16,18H2
InChIKey
DFEWOLMQJBYLEU-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-nitrophenyl)-N-cyclohexyl-2-morpholin-4-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

451.21072 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.21800 206.6
[M+Na]+ 474.19994 202.9
[M-H]- 450.20344 216.5
[M+NH4]+ 469.24454 209.3
[M+K]+ 490.17388 197.3
[M+H-H2O]+ 434.20798 198.1
[M+HCOO]- 496.20892 219.9
[M+CH3COO]- 510.22457 229.6
[M+Na-2H]- 472.18539 206.7
[M]+ 451.21017 197.8
[M]- 451.21127 197.8
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