CID 5377686

Flazin

Structural Information

Molecular Formula
C17H12N2O4
SMILES
C1=CC=C2C(=C1)C3=CC(=NC(=C3N2)C4=CC=C(O4)CO)C(=O)O
InChI
InChI=1S/C17H12N2O4/c20-8-9-5-6-14(23-9)16-15-11(7-13(19-16)17(21)22)10-3-1-2-4-12(10)18-15/h1-7,18,20H,8H2,(H,21,22)
InChIKey
USBWYUYKHHILLZ-UHFFFAOYSA-N
Compound name
1-[5-(hydroxymethyl)furan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

48
Patents

308.0797 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.086976 166.7
[M+Na]+ 331.068918 178.3
[M-H]- 307.072424 171.8
[M+NH4]+ 326.113523 181.4
[M+K]+ 347.042858 173.4
[M+H-H2O]+ 291.076960 160.2
[M+HCOO]- 353.077901 185.9
[M+CH3COO]- 367.093551 178.8
[M+Na-2H]- 329.054366 170.8
[M]+ 308.07915142 171.2
[M]- 308.08024858 171.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe