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
2
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]+ 229.097146 149.1
[M+Na]+ 251.079088 161.3
[M-H]- 227.082594 150.7
[M+NH4]+ 246.123693 167.9
[M+K]+ 267.053028 155.9
[M+H-H2O]+ 211.087130 142.5
[M+HCOO]- 273.088071 168.9
[M+CH3COO]- 287.103721 162.1
[M+Na-2H]- 249.064536 155.8
[M]+ 228.08932142 152.0
[M]- 228.09041858 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.