CID 135533054

Dynasore

Structural Information

Molecular Formula
C18H14N2O4
SMILES
C1=CC=C2C=C(C(=CC2=C1)C(=O)N/N=C/C3=CC(=C(C=C3)O)O)O
InChI
InChI=1S/C18H14N2O4/c21-15-6-5-11(7-17(15)23)10-19-20-18(24)14-8-12-3-1-2-4-13(12)9-16(14)22/h1-10,21-23H,(H,20,24)/b19-10+
InChIKey
SYNDQCRDGGCQRZ-VXLYETTFSA-N
Compound name
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

227
References

775
Patents

322.09537 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.102646 171.2
[M+Na]+ 345.084588 178.3
[M-H]- 321.088094 176.7
[M+NH4]+ 340.129193 184.4
[M+K]+ 361.058528 173.5
[M+H-H2O]+ 305.092630 163.0
[M+HCOO]- 367.093571 193.1
[M+CH3COO]- 381.109221 208.7
[M+Na-2H]- 343.070036 176.6
[M]+ 322.09482142 170.5
[M]- 322.09591858 170.5
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