CID 53663937

7-methoxy-1-methyl-9h-pyrido[3,4-b]indol-6-ol

Structural Information

Molecular Formula
C13H12N2O2
SMILES
CC1=NC=CC2=C1NC3=CC(=C(C=C23)O)OC
InChI
InChI=1S/C13H12N2O2/c1-7-13-8(3-4-14-7)9-5-11(16)12(17-2)6-10(9)15-13/h3-6,15-16H,1-2H3
InChIKey
AVGHDEIZJIEIFK-UHFFFAOYSA-N
Compound name
7-methoxy-1-methyl-9H-pyrido[3,4-b]indol-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.08987 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.09715 149.1
[M+Na]+ 251.07909 161.3
[M-H]- 227.08259 150.7
[M+NH4]+ 246.12369 167.9
[M+K]+ 267.05303 155.9
[M+H-H2O]+ 211.08713 142.5
[M+HCOO]- 273.08807 168.9
[M+CH3COO]- 287.10372 162.1
[M+Na-2H]- 249.06454 155.8
[M]+ 228.08932 152.0
[M]- 228.09042 152.0
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

No patent data available for this compound.