CID 208299

Brn 0659716

Structural Information

Molecular Formula
C14H16N2O
SMILES
CC1=NC=CC2=C1N(C3=C2CC(=CC3)OC)C
InChI
InChI=1S/C14H16N2O/c1-9-14-11(6-7-15-9)12-8-10(17-3)4-5-13(12)16(14)2/h4,6-7H,5,8H2,1-3H3
InChIKey
CPANUUSZWDRNHZ-UHFFFAOYSA-N
Compound name
6-methoxy-1,9-dimethyl-5,8-dihydropyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.12627 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.13355 151.3
[M+Na]+ 251.11549 163.0
[M-H]- 227.11899 155.0
[M+NH4]+ 246.16009 171.5
[M+K]+ 267.08943 158.6
[M+H-H2O]+ 211.12353 143.9
[M+HCOO]- 273.12447 172.2
[M+CH3COO]- 287.14012 164.8
[M+Na-2H]- 249.10094 157.2
[M]+ 228.12572 155.2
[M]- 228.12682 155.2
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.