CID 4607319

N-(4-isobutyrylphenyl)-3-nitrobenzamide

Structural Information

Molecular Formula
C17H16N2O4
SMILES
CC(C)C(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C17H16N2O4/c1-11(2)16(20)12-6-8-14(9-7-12)18-17(21)13-4-3-5-15(10-13)19(22)23/h3-11H,1-2H3,(H,18,21)
InChIKey
CNWARFRYQBDAAP-UHFFFAOYSA-N
Compound name
N-[4-(2-methylpropanoyl)phenyl]-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.111 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11828 170.7
[M+Na]+ 335.10022 174.8
[M-H]- 311.10372 177.2
[M+NH4]+ 330.14482 183.4
[M+K]+ 351.07416 168.2
[M+H-H2O]+ 295.10826 166.9
[M+HCOO]- 357.10920 193.8
[M+CH3COO]- 371.12485 203.4
[M+Na-2H]- 333.08567 173.8
[M]+ 312.11045 169.1
[M]- 312.11155 169.1
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.