CID 3060179

Maleate acide de n-isopropyl benzoyl-2' nitro-4' morpholino-2 acetanilide [french]

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

411.1794 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.18668 197.5
[M+Na]+ 434.16862 197.1
[M-H]- 410.17212 206.0
[M+NH4]+ 429.21322 202.9
[M+K]+ 450.14256 192.3
[M+H-H2O]+ 394.17666 190.6
[M+HCOO]- 456.17760 214.1
[M+CH3COO]- 470.19325 224.0
[M+Na-2H]- 432.15407 198.5
[M]+ 411.17885 194.1
[M]- 411.17995 194.1
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