CID 3062052

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

Structural Information

Molecular Formula
C19H19N3O4
SMILES
CN(C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=CC=C2)C(=O)CNC3CC3
InChI
InChI=1S/C19H19N3O4/c1-21(18(23)12-20-14-7-8-14)17-10-9-15(22(25)26)11-16(17)19(24)13-5-3-2-4-6-13/h2-6,9-11,14,20H,7-8,12H2,1H3
InChIKey
FFTGLNRRSPNPEV-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-nitrophenyl)-2-(cyclopropylamino)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

353.13754 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.144816 171.0
[M+Na]+ 376.126758 175.3
[M-H]- 352.130264 181.7
[M+NH4]+ 371.171363 177.7
[M+K]+ 392.100698 168.1
[M+H-H2O]+ 336.134800 166.7
[M+HCOO]- 398.135741 196.5
[M+CH3COO]- 412.151391 217.3
[M+Na-2H]- 374.112206 175.4
[M]+ 353.13699142 172.2
[M]- 353.13808858 172.2
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