CID 3062054

Acetamide, n-(2-benzoyl-4-nitrophenyl)-n-methyl-2-(2-propenylamino)-

Structural Information

Molecular Formula
C19H19N3O4
SMILES
CN(C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=CC=C2)C(=O)CNCC=C
InChI
InChI=1S/C19H19N3O4/c1-3-11-20-13-18(23)21(2)17-10-9-15(22(25)26)12-16(17)19(24)14-7-5-4-6-8-14/h3-10,12,20H,1,11,13H2,2H3
InChIKey
XHIRBJJOOTXJDD-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-nitrophenyl)-N-methyl-2-(prop-2-enylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

353.13754 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.14482 182.7
[M+Na]+ 376.12676 185.5
[M-H]- 352.13026 189.9
[M+NH4]+ 371.17136 193.8
[M+K]+ 392.10070 178.8
[M+H-H2O]+ 336.13480 177.8
[M+HCOO]- 398.13574 207.7
[M+CH3COO]- 412.15139 216.0
[M+Na-2H]- 374.11221 185.6
[M]+ 353.13699 182.0
[M]- 353.13809 182.0
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