CID 9562794

(e)-3,4-dihydroxy-n'-[(2-methoxynaphthalen-1-yl)methylene]benzohydrazide

Structural Information

Molecular Formula
C19H16N2O4
SMILES
COC1=C(C2=CC=CC=C2C=C1)/C=N/NC(=O)C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C19H16N2O4/c1-25-18-9-7-12-4-2-3-5-14(12)15(18)11-20-21-19(24)13-6-8-16(22)17(23)10-13/h2-11,22-23H,1H3,(H,21,24)/b20-11+
InChIKey
TVOPERZEGKBKAY-RGVLZGJSSA-N
Compound name
3,4-dihydroxy-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

336.111 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.11828 175.9
[M+Na]+ 359.10022 182.9
[M-H]- 335.10372 182.6
[M+NH4]+ 354.14482 189.1
[M+K]+ 375.07416 178.7
[M+H-H2O]+ 319.10826 167.2
[M+HCOO]- 381.10920 198.9
[M+CH3COO]- 395.12485 213.8
[M+Na-2H]- 357.08567 181.1
[M]+ 336.11045 177.3
[M]- 336.11155 177.3
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

patents stripe