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

3
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 158.8
[M+Na]+ 301.05837 170.7
[M-H]- 277.06187 165.0
[M+NH4]+ 296.10297 175.2
[M+K]+ 317.03231 166.0
[M+H-H2O]+ 261.06641 152.1
[M+HCOO]- 323.06735 179.7
[M+CH3COO]- 337.08300 171.9
[M+Na-2H]- 299.04382 164.3
[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