CID 773706

N-(2,5-dimethoxyphenyl)-2-methyl-3-nitrobenzamide

Structural Information

Molecular Formula
C16H16N2O5
SMILES
CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)OC)OC
InChI
InChI=1S/C16H16N2O5/c1-10-12(5-4-6-14(10)18(20)21)16(19)17-13-9-11(22-2)7-8-15(13)23-3/h4-9H,1-3H3,(H,17,19)
InChIKey
RDRWZGRTXIRLMG-UHFFFAOYSA-N
Compound name
N-(2,5-dimethoxyphenyl)-2-methyl-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

316.10593 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.11321 170.5
[M+Na]+ 339.09515 176.9
[M-H]- 315.09865 177.8
[M+NH4]+ 334.13975 183.8
[M+K]+ 355.06909 170.7
[M+H-H2O]+ 299.10319 166.6
[M+HCOO]- 361.10413 195.9
[M+CH3COO]- 375.11978 204.4
[M+Na-2H]- 337.08060 175.3
[M]+ 316.10538 172.6
[M]- 316.10648 172.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.