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]+ 269.09206 156.0
[M+Na]+ 291.07400 166.1
[M-H]- 267.07750 159.7
[M+NH4]+ 286.11860 172.4
[M+K]+ 307.04794 161.2
[M+H-H2O]+ 251.08204 148.3
[M+HCOO]- 313.08298 177.7
[M+CH3COO]- 327.09863 168.3
[M+Na-2H]- 289.05945 165.3
[M]+ 268.08423 158.3
[M]- 268.08533 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.