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

4
Patents

353.13754 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.14482 171.0
[M+Na]+ 376.12676 175.3
[M-H]- 352.13026 181.7
[M+NH4]+ 371.17136 177.7
[M+K]+ 392.10070 168.1
[M+H-H2O]+ 336.13480 166.7
[M+HCOO]- 398.13574 196.5
[M+CH3COO]- 412.15139 217.3
[M+Na-2H]- 374.11221 175.4
[M]+ 353.13699 172.2
[M]- 353.13809 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