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]+ 347.123776 177.8
[M+Na]+ 369.105718 184.3
[M-H]- 345.109224 185.2
[M+NH4]+ 364.150323 190.0
[M+K]+ 385.079658 178.8
[M+H-H2O]+ 329.113760 173.6
[M+HCOO]- 391.114701 202.9
[M+CH3COO]- 405.130351 210.8
[M+Na-2H]- 367.091166 181.7
[M]+ 346.11595142 182.0
[M]- 346.11704858 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.