CID 215931

36845-03-1

Structural Information

Molecular Formula
C16H18N2O4
SMILES
CC1=C(N=CC=C1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C16H18N2O4/c1-10-6-5-7-17-15(10)18-16(19)11-8-12(20-2)14(22-4)13(9-11)21-3/h5-9H,1-4H3,(H,17,18,19)
InChIKey
JSIPUEXTEYSZGQ-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-N-(3-methyl-2-pyridinyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

302.12665 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.133926 169.0
[M+Na]+ 325.115868 177.1
[M-H]- 301.119374 175.1
[M+NH4]+ 320.160473 182.7
[M+K]+ 341.089808 175.0
[M+H-H2O]+ 285.123910 160.0
[M+HCOO]- 347.124851 192.3
[M+CH3COO]- 361.140501 208.0
[M+Na-2H]- 323.101316 172.4
[M]+ 302.12610142 174.4
[M]- 302.12719858 174.4
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.