CID 287880

67837-40-5

Structural Information

Molecular Formula
C16H17N3O4
SMILES
COC1=CC(=CC(=C1OC)OC)C=NNC(=O)C2=CC=NC=C2
InChI
InChI=1S/C16H17N3O4/c1-21-13-8-11(9-14(22-2)15(13)23-3)10-18-19-16(20)12-4-6-17-7-5-12/h4-10H,1-3H3,(H,19,20)
InChIKey
QXLMRSDBFLKAPR-UHFFFAOYSA-N
Compound name
N-[(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

315.12192 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.12920 172.7
[M+Na]+ 338.11114 184.9
[M+NH4]+ 333.15574 178.5
[M+K]+ 354.08508 178.8
[M-H]- 314.11464 176.3
[M+Na-2H]- 336.09659 180.3
[M]+ 315.12137 175.2
[M]- 315.12247 175.2
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.