CID 5488120

Dehydroxymethylflazine

Structural Information

Molecular Formula
C16H10N2O3
SMILES
C1=CC=C2C(=C1)C3=CC(=NC(=C3N2)C4=CC=CO4)C(=O)O
InChI
InChI=1S/C16H10N2O3/c19-16(20)12-8-10-9-4-1-2-5-11(9)17-14(10)15(18-12)13-6-3-7-21-13/h1-8,17H,(H,19,20)
InChIKey
LTTIWDNLMMLJOI-UHFFFAOYSA-N
Compound name
1-(furan-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

278.06915 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.07643 159.5
[M+Na]+ 301.05837 175.0
[M+NH4]+ 296.10297 167.3
[M+K]+ 317.03231 172.5
[M-H]- 277.06187 163.5
[M+Na-2H]- 299.04382 166.3
[M]+ 278.06860 162.9
[M]- 278.06970 162.9
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