CID 5480161

Dioxo[?]carboxylic acid

Structural Information

Molecular Formula
C17H9NO4
SMILES
C1=CC=C2C(=C1)C3=C(C(=O)NC4=CC=CC(=C43)C2=O)C(=O)O
InChI
InChI=1S/C17H9NO4/c19-15-9-5-2-1-4-8(9)13-12-10(15)6-3-7-11(12)18-16(20)14(13)17(21)22/h1-7H,(H,18,20)(H,21,22)
InChIKey
QJIOTTNGONKOSR-UHFFFAOYSA-N
Compound name
8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-16-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.05316 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.06044 161.6
[M+Na]+ 314.04238 171.9
[M-H]- 290.04588 164.0
[M+NH4]+ 309.08698 177.6
[M+K]+ 330.01632 166.0
[M+H-H2O]+ 274.05042 153.9
[M+HCOO]- 336.05136 177.0
[M+CH3COO]- 350.06701 172.7
[M+Na-2H]- 312.02783 169.0
[M]+ 291.05261 162.7
[M]- 291.05371 162.7
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.