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]+ 354.144816 182.7
[M+Na]+ 376.126758 185.5
[M-H]- 352.130264 189.9
[M+NH4]+ 371.171363 193.8
[M+K]+ 392.100698 178.8
[M+H-H2O]+ 336.134800 177.8
[M+HCOO]- 398.135741 207.7
[M+CH3COO]- 412.151391 216.0
[M+Na-2H]- 374.112206 185.6
[M]+ 353.13699142 182.0
[M]- 353.13808858 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