CID 5200767

4-methoxy-3-nitro-n-(1-phenylethyl)benzamide

Structural Information

Molecular Formula
C16H16N2O4
SMILES
CC(C1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]
InChI
InChI=1S/C16H16N2O4/c1-11(12-6-4-3-5-7-12)17-16(19)13-8-9-15(22-2)14(10-13)18(20)21/h3-11H,1-2H3,(H,17,19)
InChIKey
VAWHVBUXCGGPNU-UHFFFAOYSA-N
Compound name
4-methoxy-3-nitro-N-(1-phenylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.111 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.118276 167.6
[M+Na]+ 323.100218 172.1
[M-H]- 299.103724 174.2
[M+NH4]+ 318.144823 181.0
[M+K]+ 339.074158 165.8
[M+H-H2O]+ 283.108260 163.8
[M+HCOO]- 345.109201 191.9
[M+CH3COO]- 359.124851 200.6
[M+Na-2H]- 321.085666 172.3
[M]+ 300.11045142 166.9
[M]- 300.11154858 166.9
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.