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]+ 302.13868 168.9
[M+Na]+ 324.12062 176.7
[M-H]- 300.12412 176.3
[M+NH4]+ 319.16522 184.1
[M+K]+ 340.09456 174.6
[M+H-H2O]+ 284.12866 160.7
[M+HCOO]- 346.12960 193.3
[M+CH3COO]- 360.14525 208.4
[M+Na-2H]- 322.10607 171.7
[M]+ 301.13085 174.2
[M]- 301.13195 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.