CID 494618

Nsc627899

Structural Information

Molecular Formula
C18H17N3O4
SMILES
C1=CC=C2C(=C1)C(=NC(CCC(=O)N)C(=O)O)C3=CC=CC=C3N2O
InChI
InChI=1S/C18H17N3O4/c19-16(22)10-9-13(18(23)24)20-17-11-5-1-3-7-14(11)21(25)15-8-4-2-6-12(15)17/h1-8,13,25H,9-10H2,(H2,19,22)(H,23,24)
InChIKey
NXTITAQLWHKQTE-UHFFFAOYSA-N
Compound name
5-amino-2-[(10-hydroxyacridin-9-ylidene)amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.12192 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.12920 175.3
[M+Na]+ 362.11114 182.4
[M-H]- 338.11464 177.9
[M+NH4]+ 357.15574 187.6
[M+K]+ 378.08508 178.2
[M+H-H2O]+ 322.11918 166.9
[M+HCOO]- 384.12012 194.6
[M+CH3COO]- 398.13577 215.3
[M+Na-2H]- 360.09659 180.4
[M]+ 339.12137 176.5
[M]- 339.12247 176.5
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.