CID 24844836

9h-pyrido(3,4-b)indole, 1,3-dimethyl-7-methoxy-, hydrochloride

Structural Information

Molecular Formula
C14H14N2O
SMILES
CC1=CC2=C(C(=N1)C)NC3=C2C=CC(=C3)OC
InChI
InChI=1S/C14H14N2O/c1-8-6-12-11-5-4-10(17-3)7-13(11)16-14(12)9(2)15-8/h4-7,16H,1-3H3
InChIKey
GXNDURPJXSLEMM-UHFFFAOYSA-N
Compound name
7-methoxy-1,3-dimethyl-9H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

226.11061 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.11789 150.3
[M+Na]+ 249.09983 162.7
[M-H]- 225.10333 153.2
[M+NH4]+ 244.14443 170.1
[M+K]+ 265.07377 157.3
[M+H-H2O]+ 209.10787 143.4
[M+HCOO]- 271.10881 171.2
[M+CH3COO]- 285.12446 163.8
[M+Na-2H]- 247.08528 156.9
[M]+ 226.11006 154.0
[M]- 226.11116 154.0
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

patents stripe