CID 45051049

3,4,5-trimethoxy-n-(2-methyl-6-nitrophenyl)benzamide

Structural Information

Molecular Formula
C17H18N2O6
SMILES
CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C17H18N2O6/c1-10-6-5-7-12(19(21)22)15(10)18-17(20)11-8-13(23-2)16(25-4)14(9-11)24-3/h5-9H,1-4H3,(H,18,20)
InChIKey
VSPBAIONAJQJIS-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-N-(2-methyl-6-nitrophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.1165 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.12378 177.8
[M+Na]+ 369.10572 184.3
[M-H]- 345.10922 185.2
[M+NH4]+ 364.15032 190.0
[M+K]+ 385.07966 178.8
[M+H-H2O]+ 329.11376 173.6
[M+HCOO]- 391.11470 202.9
[M+CH3COO]- 405.13035 210.8
[M+Na-2H]- 367.09117 181.7
[M]+ 346.11595 182.0
[M]- 346.11705 182.0
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.