CID 494621

Nsc627902

Structural Information

Molecular Formula
C15H12N2O3
SMILES
C1=CC=C2C(=C1)C(=NCC(=O)O)C3=CC=CC=C3N2O
InChI
InChI=1S/C15H12N2O3/c18-14(19)9-16-15-10-5-1-3-7-12(10)17(20)13-8-4-2-6-11(13)15/h1-8,20H,9H2,(H,18,19)
InChIKey
VLSRPKZEZIAWME-UHFFFAOYSA-N
Compound name
2-[(10-hydroxyacridin-9-ylidene)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.08478 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.092056 156.0
[M+Na]+ 291.073998 166.1
[M-H]- 267.077504 159.7
[M+NH4]+ 286.118603 172.4
[M+K]+ 307.047938 161.2
[M+H-H2O]+ 251.082040 148.3
[M+HCOO]- 313.082981 177.7
[M+CH3COO]- 327.098631 168.3
[M+Na-2H]- 289.059446 165.3
[M]+ 268.08423142 158.3
[M]- 268.08532858 158.3
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.