CID 5358591

Pyridindolol

Structural Information

Molecular Formula
C14H14N2O3
SMILES
C1=CC=C2C(=C1)C3=C(N2)C(=NC(=C3)CO)C(CO)O
InChI
InChI=1S/C14H14N2O3/c17-6-8-5-10-9-3-1-2-4-11(9)16-13(10)14(15-8)12(19)7-18/h1-5,12,16-19H,6-7H2
InChIKey
VAKXHGQDPLEUTH-UHFFFAOYSA-N
Compound name
1-[3-(hydroxymethyl)-9H-pyrido[3,4-b]indol-1-yl]ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

258.10043 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10771 156.6
[M+Na]+ 281.08965 166.0
[M-H]- 257.09315 155.1
[M+NH4]+ 276.13425 172.3
[M+K]+ 297.06359 160.0
[M+H-H2O]+ 241.09769 150.2
[M+HCOO]- 303.09863 172.3
[M+CH3COO]- 317.11428 167.3
[M+Na-2H]- 279.07510 161.8
[M]+ 258.09988 156.7
[M]- 258.10098 156.7
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