CID 318190

Nsc253520

Structural Information

Molecular Formula
C16H11NO4
SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C2O)C(=O)C(=O)O
InChI
InChI=1S/C16H11NO4/c18-14(16(20)21)13-11-8-4-5-9-12(11)17(15(13)19)10-6-2-1-3-7-10/h1-9,19H,(H,20,21)
InChIKey
QVUMCQUKBPQVPI-UHFFFAOYSA-N
Compound name
2-(2-hydroxy-1-phenylindol-3-yl)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.06882 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.07610 160.5
[M+Na]+ 304.05804 169.9
[M-H]- 280.06154 165.5
[M+NH4]+ 299.10264 176.3
[M+K]+ 320.03198 165.3
[M+H-H2O]+ 264.06608 153.4
[M+HCOO]- 326.06702 181.0
[M+CH3COO]- 340.08267 195.1
[M+Na-2H]- 302.04349 163.7
[M]+ 281.06827 162.4
[M]- 281.06937 162.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.