CID 417052

6-methoxyharmalan

Structural Information

Molecular Formula
C13H14N2O
SMILES
CC1=NCCC2=C1NC3=C2C=C(C=C3)OC
InChI
InChI=1S/C13H14N2O/c1-8-13-10(5-6-14-8)11-7-9(16-2)3-4-12(11)15-13/h3-4,7,15H,5-6H2,1-2H3
InChIKey
HMBHRMFLDKKSCT-UHFFFAOYSA-N
Compound name
6-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

174
Patents

214.11061 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.11789 146.5
[M+Na]+ 237.09983 161.4
[M+NH4]+ 232.14443 155.9
[M+K]+ 253.07377 155.4
[M-H]- 213.10333 148.7
[M+Na-2H]- 235.08528 152.6
[M]+ 214.11006 149.3
[M]- 214.11116 149.3
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