CID 3060182

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

Structural Information

Molecular Formula
C26H25N3O5
SMILES
C1COCCN1CC(=O)N(CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4
InChI
InChI=1S/C26H25N3O5/c30-25(19-27-13-15-34-16-14-27)28(18-20-7-3-1-4-8-20)24-12-11-22(29(32)33)17-23(24)26(31)21-9-5-2-6-10-21/h1-12,17H,13-16,18-19H2
InChIKey
DYZHCHRQFJANRI-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-nitrophenyl)-N-benzyl-2-morpholin-4-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

459.1794 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.18668 209.5
[M+Na]+ 482.16862 208.1
[M-H]- 458.17212 220.3
[M+NH4]+ 477.21322 211.9
[M+K]+ 498.14256 201.8
[M+H-H2O]+ 442.17666 200.5
[M+HCOO]- 504.17760 226.4
[M+CH3COO]- 518.19325 231.3
[M+Na-2H]- 480.15407 211.7
[M]+ 459.17885 205.0
[M]- 459.17995 205.0
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