CID 54588462

1253640-41-3

Structural Information

Molecular Formula
C13H16N2O
SMILES
CN1CCC2=C(C1)C3=C(N2)C(=CC=C3)OC
InChI
InChI=1S/C13H16N2O/c1-15-7-6-11-10(8-15)9-4-3-5-12(16-2)13(9)14-11/h3-5,14H,6-8H2,1-2H3
InChIKey
WCXJOWOZMZUUGW-UHFFFAOYSA-N
Compound name
6-methoxy-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

216.12627 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 148.0
[M+Na]+ 239.11549 157.8
[M-H]- 215.11899 149.8
[M+NH4]+ 234.16009 167.7
[M+K]+ 255.08943 153.0
[M+H-H2O]+ 199.12353 140.9
[M+HCOO]- 261.12447 166.3
[M+CH3COO]- 275.14012 160.4
[M+Na-2H]- 237.10094 153.8
[M]+ 216.12572 148.0
[M]- 216.12682 148.0
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