CID 3060181

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

Structural Information

Molecular Formula
C22H23N3O5
SMILES
C=CCN(C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=CC=C2)C(=O)CN3CCOCC3
InChI
InChI=1S/C22H23N3O5/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/h2-9,15H,1,10-14,16H2
InChIKey
FHLVXXCKMFGEDQ-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-nitrophenyl)-2-morpholin-4-yl-N-prop-2-enylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

409.16376 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.17104 197.5
[M+Na]+ 432.15298 197.7
[M-H]- 408.15648 206.0
[M+NH4]+ 427.19758 203.0
[M+K]+ 448.12692 191.7
[M+H-H2O]+ 392.16102 190.5
[M+HCOO]- 454.16196 215.3
[M+CH3COO]- 468.17761 222.4
[M+Na-2H]- 430.13843 199.5
[M]+ 409.16321 194.0
[M]- 409.16431 194.0
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