CID 9555932

Nsc655519

Structural Information

Molecular Formula
C16H17N3O3
SMILES
C/C(=N\NC(=O)C1=CC=NC=C1)/C2=C(C=C(C=C2)OC)OC
InChI
InChI=1S/C16H17N3O3/c1-11(14-5-4-13(21-2)10-15(14)22-3)18-19-16(20)12-6-8-17-9-7-12/h4-10H,1-3H3,(H,19,20)/b18-11+
InChIKey
QHSSBHINFGXAPX-WOJGMQOQSA-N
Compound name
N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.12698 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.13426 169.0
[M+Na]+ 322.11620 175.1
[M-H]- 298.11970 175.8
[M+NH4]+ 317.16080 182.6
[M+K]+ 338.09014 173.0
[M+H-H2O]+ 282.12424 159.4
[M+HCOO]- 344.12518 194.0
[M+CH3COO]- 358.14083 210.4
[M+Na-2H]- 320.10165 173.6
[M]+ 299.12643 171.9
[M]- 299.12753 171.9
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.