CID 135538637

102408-71-9

Structural Information

Molecular Formula
C17H14N2O8
SMILES
COC(=O)C1=CC(=C2C(=C(C(=C3C2=NC(=C3)C(=O)OC)O)O)N1)C(=O)OC
InChI
InChI=1S/C17H14N2O8/c1-25-15(22)6-4-8(16(23)26-2)19-12-10(6)11-7(13(20)14(12)21)5-9(18-11)17(24)27-3/h4-5,19-21H,1-3H3
InChIKey
ILOXSQOGEFOULU-UHFFFAOYSA-N
Compound name
trimethyl 4,5-dihydroxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

374.075 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.08228 180.1
[M+Na]+ 397.06422 189.8
[M-H]- 373.06772 180.8
[M+NH4]+ 392.10882 191.5
[M+K]+ 413.03816 187.8
[M+H-H2O]+ 357.07226 173.4
[M+HCOO]- 419.07320 195.3
[M+CH3COO]- 433.08885 212.3
[M+Na-2H]- 395.04967 180.7
[M]+ 374.07445 187.7
[M]- 374.07555 187.7
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

patents stripe