CID 3060177

N-propyl-2'-benzoyl-4'-nitro-2-morpholinoacetanilide maleate

Structural Information

Molecular Formula
C22H25N3O5
SMILES
CCCN(C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=CC=C2)C(=O)CN3CCOCC3
InChI
InChI=1S/C22H25N3O5/c1-2-10-24(21(26)16-23-11-13-30-14-12-23)20-9-8-18(25(28)29)15-19(20)22(27)17-6-4-3-5-7-17/h3-9,15H,2,10-14,16H2,1H3
InChIKey
HCYVDRMQVOOCDF-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-nitrophenyl)-2-morpholin-4-yl-N-propylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

411.1794 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.18668 198.5
[M+Na]+ 434.16862 198.3
[M-H]- 410.17212 206.9
[M+NH4]+ 429.21322 203.9
[M+K]+ 450.14256 192.9
[M+H-H2O]+ 394.17666 191.3
[M+HCOO]- 456.17760 216.1
[M+CH3COO]- 470.19325 223.2
[M+Na-2H]- 432.15407 200.4
[M]+ 411.17885 195.6
[M]- 411.17995 195.6
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