CID 12924

3,4,5-trimethoxy-n-(2-methylphenyl)benzamide

Structural Information

Molecular Formula
C17H19NO4
SMILES
CC1=CC=CC=C1NC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C17H19NO4/c1-11-7-5-6-8-13(11)18-17(19)12-9-14(20-2)16(22-4)15(10-12)21-3/h5-10H,1-4H3,(H,18,19)
InChIKey
BGNIILXYCHNOSN-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-N-(2-methylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

301.1314 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.138676 168.9
[M+Na]+ 324.120618 176.7
[M-H]- 300.124124 176.3
[M+NH4]+ 319.165223 184.1
[M+K]+ 340.094558 174.6
[M+H-H2O]+ 284.128660 160.7
[M+HCOO]- 346.129601 193.3
[M+CH3COO]- 360.145251 208.4
[M+Na-2H]- 322.106066 171.7
[M]+ 301.13085142 174.2
[M]- 301.13194858 174.2
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.