CID 3064475

Glycine, n-(11-oxo-11h-indeno(1,2-b)quinolin-10-yl)-, monosodium salt

Structural Information

Molecular Formula
C18H12N2O3
SMILES
C1=CC=C2C(=C1)C3=NC4=CC=CC=C4C(=C3C2=O)NCC(=O)O
InChI
InChI=1S/C18H12N2O3/c21-14(22)9-19-16-12-7-3-4-8-13(12)20-17-10-5-1-2-6-11(10)18(23)15(16)17/h1-8H,9H2,(H,19,20)(H,21,22)
InChIKey
ALZQJPFPNPYONH-UHFFFAOYSA-N
Compound name
2-[(11-oxoindeno[1,2-b]quinolin-10-yl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.08478 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.092056 166.2
[M+Na]+ 327.073998 175.7
[M-H]- 303.077504 170.6
[M+NH4]+ 322.118603 183.7
[M+K]+ 343.047938 169.9
[M+H-H2O]+ 287.082040 158.8
[M+HCOO]- 349.082981 185.8
[M+CH3COO]- 363.098631 177.7
[M+Na-2H]- 325.059446 172.4
[M]+ 304.08423142 168.1
[M]- 304.08532858 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.