CID 5061156

3-nitro-n-(4-propionylphenyl)benzamide

Structural Information

Molecular Formula
C16H14N2O4
SMILES
CCC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H14N2O4/c1-2-15(19)11-6-8-13(9-7-11)17-16(20)12-4-3-5-14(10-12)18(21)22/h3-10H,2H2,1H3,(H,17,20)
InChIKey
JBZGDWOTNYFRMT-UHFFFAOYSA-N
Compound name
3-nitro-N-(4-propanoylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.09537 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.10265 166.6
[M+Na]+ 321.08459 171.3
[M-H]- 297.08809 173.1
[M+NH4]+ 316.12919 179.9
[M+K]+ 337.05853 164.4
[M+H-H2O]+ 281.09263 162.8
[M+HCOO]- 343.09357 191.0
[M+CH3COO]- 357.10922 199.6
[M+Na-2H]- 319.07004 171.3
[M]+ 298.09482 165.2
[M]- 298.09592 165.2
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

No patent data available for this compound.