CID 202976

Brn 0647941

Structural Information

Molecular Formula
C13H16N2O
SMILES
CC1CC2=C(CN1)NC3=C2C=C(C=C3)OC
InChI
InChI=1S/C13H16N2O/c1-8-5-10-11-6-9(16-2)3-4-12(11)15-13(10)7-14-8/h3-4,6,8,14-15H,5,7H2,1-2H3
InChIKey
OHURUCZSTOINHS-UHFFFAOYSA-N
Compound name
6-methoxy-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 148.2
[M+Na]+ 239.11549 161.6
[M+NH4]+ 234.16009 157.2
[M+K]+ 255.08943 156.1
[M-H]- 215.11899 149.7
[M+Na-2H]- 237.10094 152.8
[M]+ 216.12572 150.5
[M]- 216.12682 150.5
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

patents stripe