CID 3071385

1-hexyl-6-methoxy-2,3,4,9-tetrahydro-1h-pyrido(3,4-b)indole monohydrochloride

Structural Information

Molecular Formula
C18H26N2O
SMILES
CCCCCCC1C2=C(CCN1)C3=C(N2)C=CC(=C3)OC
InChI
InChI=1S/C18H26N2O/c1-3-4-5-6-7-17-18-14(10-11-19-17)15-12-13(21-2)8-9-16(15)20-18/h8-9,12,17,19-20H,3-7,10-11H2,1-2H3
InChIKey
ZCCFAEUGHIGMBY-UHFFFAOYSA-N
Compound name
1-hexyl-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.2045 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.21178 171.1
[M+Na]+ 309.19372 183.4
[M+NH4]+ 304.23832 179.1
[M+K]+ 325.16766 176.7
[M-H]- 285.19722 172.4
[M+Na-2H]- 307.17917 174.2
[M]+ 286.20395 173.1
[M]- 286.20505 173.1
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.