CID 3886325

Stk089537

Structural Information

Molecular Formula
C18H13NO4
SMILES
C1=CC=C2C(=C1)C=CC(=C2C=NC3=CC(=C(C=C3)C(=O)O)O)O
InChI
InChI=1S/C18H13NO4/c20-16-8-5-11-3-1-2-4-13(11)15(16)10-19-12-6-7-14(18(22)23)17(21)9-12/h1-10,20-21H,(H,22,23)
InChIKey
CAUZUHMPSMJJJC-UHFFFAOYSA-N
Compound name
2-hydroxy-4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

307.08447 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.09175 168.0
[M+Na]+ 330.07369 176.0
[M-H]- 306.07719 173.6
[M+NH4]+ 325.11829 182.1
[M+K]+ 346.04763 171.0
[M+H-H2O]+ 290.08173 160.2
[M+HCOO]- 352.08267 188.8
[M+CH3COO]- 366.09832 203.9
[M+Na-2H]- 328.05914 172.8
[M]+ 307.08392 168.0
[M]- 307.08502 168.0
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