CID 162538

43099-94-1

Structural Information

Molecular Formula
C21H16N2O4
SMILES
CN(C)C(=O)C1=CC2=C(C=C1)C(=O)C(=C2O)C3=NC4=CC=CC=C4C=C3O
InChI
InChI=1S/C21H16N2O4/c1-23(2)21(27)12-7-8-13-14(9-12)20(26)17(19(13)25)18-16(24)10-11-5-3-4-6-15(11)22-18/h3-10,24,26H,1-2H3
InChIKey
GCORGNXXPLXQHR-UHFFFAOYSA-N
Compound name
3-hydroxy-2-(3-hydroxyquinolin-2-yl)-N,N-dimethyl-1-oxoindene-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

95
Patents

360.111 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.118276 183.4
[M+Na]+ 383.100218 192.7
[M-H]- 359.103724 190.7
[M+NH4]+ 378.144823 197.7
[M+K]+ 399.074158 188.1
[M+H-H2O]+ 343.108260 175.4
[M+HCOO]- 405.109201 202.7
[M+CH3COO]- 419.124851 194.3
[M+Na-2H]- 381.085666 184.9
[M]+ 360.11045142 186.6
[M]- 360.11154858 186.6
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

patents stripe