CID 268313

Nsc108473

Structural Information

Molecular Formula
C18H14N2O3
SMILES
CN1C2=CC=CC=C2C(=CC1=O)C=NC3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C18H14N2O3/c1-20-16-5-3-2-4-15(16)13(10-17(20)21)11-19-14-8-6-12(7-9-14)18(22)23/h2-11H,1H3,(H,22,23)
InChIKey
IBMFGLKOJVMGOQ-UHFFFAOYSA-N
Compound name
4-[(1-methyl-2-oxoquinolin-4-yl)methylideneamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.10043 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.10771 169.1
[M+Na]+ 329.08965 178.4
[M-H]- 305.09315 176.0
[M+NH4]+ 324.13425 183.3
[M+K]+ 345.06359 173.3
[M+H-H2O]+ 289.09769 159.9
[M+HCOO]- 351.09863 191.6
[M+CH3COO]- 365.11428 208.3
[M+Na-2H]- 327.07510 174.6
[M]+ 306.09988 171.0
[M]- 306.10098 171.0
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.