CID 54690694

Nsc45197

Structural Information

Molecular Formula
C17H15N3O3
SMILES
CN(C1=CC=C(C=C1)C(=O)N)C2=C(C3=CC=CC=C3NC2=O)O
InChI
InChI=1S/C17H15N3O3/c1-20(11-8-6-10(7-9-11)16(18)22)14-15(21)12-4-2-3-5-13(12)19-17(14)23/h2-9H,1H3,(H2,18,22)(H2,19,21,23)
InChIKey
XSLOALFHLJSWRC-UHFFFAOYSA-N
Compound name
4-[(4-hydroxy-2-oxo-1H-quinolin-3-yl)-methylamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.11133 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11861 169.6
[M+Na]+ 332.10055 177.3
[M-H]- 308.10405 174.8
[M+NH4]+ 327.14515 182.3
[M+K]+ 348.07449 172.7
[M+H-H2O]+ 292.10859 160.9
[M+HCOO]- 354.10953 190.1
[M+CH3COO]- 368.12518 210.2
[M+Na-2H]- 330.08600 173.7
[M]+ 309.11078 168.1
[M]- 309.11188 168.1
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.