CID 136499966

765909-95-3

Structural Information

Molecular Formula
C21H15N3O3
SMILES
C1=CC=C2C=C(C(=CC2=C1)C(=O)N/N=C/C3=CC4=CC=CC=C4NC3=O)O
InChI
InChI=1S/C21H15N3O3/c25-19-11-14-6-2-1-5-13(14)10-17(19)21(27)24-22-12-16-9-15-7-3-4-8-18(15)23-20(16)26/h1-12,25H,(H,23,26)(H,24,27)/b22-12+
InChIKey
YBVPNUYSVRWXOI-WSDLNYQXSA-N
Compound name
3-hydroxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.11133 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.11861 180.5
[M+Na]+ 380.10055 189.2
[M-H]- 356.10405 186.9
[M+NH4]+ 375.14515 192.2
[M+K]+ 396.07449 182.3
[M+H-H2O]+ 340.10859 170.5
[M+HCOO]- 402.10953 202.3
[M+CH3COO]- 416.12518 190.6
[M+Na-2H]- 378.08600 188.9
[M]+ 357.11078 181.0
[M]- 357.11188 181.0
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.