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-methylpyridin-2-yl)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]+ 303.13393 169.0
[M+Na]+ 325.11587 177.1
[M-H]- 301.11937 175.1
[M+NH4]+ 320.16047 182.7
[M+K]+ 341.08981 175.0
[M+H-H2O]+ 285.12391 160.0
[M+HCOO]- 347.12485 192.3
[M+CH3COO]- 361.14050 208.0
[M+Na-2H]- 323.10132 172.4
[M]+ 302.12610 174.4
[M]- 302.12720 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.