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
2
Annotation Hits

0
References

7
Patents

360.111 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.11828 183.4
[M+Na]+ 383.10022 192.7
[M-H]- 359.10372 190.7
[M+NH4]+ 378.14482 197.7
[M+K]+ 399.07416 188.1
[M+H-H2O]+ 343.10826 175.4
[M+HCOO]- 405.10920 202.7
[M+CH3COO]- 419.12485 194.3
[M+Na-2H]- 381.08567 184.9
[M]+ 360.11045 186.6
[M]- 360.11155 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