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]+ 317.113206 170.5
[M+Na]+ 339.095148 176.9
[M-H]- 315.098654 177.8
[M+NH4]+ 334.139753 183.8
[M+K]+ 355.069088 170.7
[M+H-H2O]+ 299.103190 166.6
[M+HCOO]- 361.104131 195.9
[M+CH3COO]- 375.119781 204.4
[M+Na-2H]- 337.080596 175.3
[M]+ 316.10538142 172.6
[M]- 316.10647858 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.