CID 9632145

393538-00-6

Structural Information

Molecular Formula
C16H16N2O5
SMILES
COC1=C(C=C(C=C1)/C=N/NC(=O)C2=C(C=C(C=C2)O)O)OC
InChI
InChI=1S/C16H16N2O5/c1-22-14-6-3-10(7-15(14)23-2)9-17-18-16(21)12-5-4-11(19)8-13(12)20/h3-9,19-20H,1-2H3,(H,18,21)/b17-9+
InChIKey
HXVCUQVTJGBGRN-RQZCQDPDSA-N
Compound name
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2,4-dihydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.10593 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.113206 170.2
[M+Na]+ 339.095148 177.2
[M-H]- 315.098654 176.3
[M+NH4]+ 334.139753 183.5
[M+K]+ 355.069088 174.7
[M+H-H2O]+ 299.103190 161.8
[M+HCOO]- 361.104131 194.8
[M+CH3COO]- 375.119781 209.2
[M+Na-2H]- 337.080596 173.7
[M]+ 316.10538142 173.2
[M]- 316.10647858 173.2
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.