CID 486622

143502-37-8

Structural Information

Molecular Formula
C14H14N2O
SMILES
CC1=NC=CC2=C1N(C3=C2C=CC(=C3)OC)C
InChI
InChI=1S/C14H14N2O/c1-9-14-12(6-7-15-9)11-5-4-10(17-3)8-13(11)16(14)2/h4-8H,1-3H3
InChIKey
LJQLTQRHIJBENP-UHFFFAOYSA-N
Compound name
7-methoxy-1,9-dimethylpyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

22
Patents

226.11061 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.11789 150.0
[M+Na]+ 249.09983 162.7
[M-H]- 225.10333 154.1
[M+NH4]+ 244.14443 170.4
[M+K]+ 265.07377 158.2
[M+H-H2O]+ 209.10787 142.7
[M+HCOO]- 271.10881 172.3
[M+CH3COO]- 285.12446 164.1
[M+Na-2H]- 247.08528 156.9
[M]+ 226.11006 155.4
[M]- 226.11116 155.4
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

No patent data available for this compound.