CID 3071381

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

Structural Information

Molecular Formula
C17H24N2O
SMILES
CCCCCCC1C2=C(CCN1)C3=C(N2)C=CC(=C3)O
InChI
InChI=1S/C17H24N2O/c1-2-3-4-5-6-16-17-13(9-10-18-16)14-11-12(20)7-8-15(14)19-17/h7-8,11,16,18-20H,2-6,9-10H2,1H3
InChIKey
TURFXMDWYBSQOZ-UHFFFAOYSA-N
Compound name
1-hexyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.18887 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.196146 166.6
[M+Na]+ 295.178088 173.7
[M-H]- 271.181594 164.9
[M+NH4]+ 290.222693 182.6
[M+K]+ 311.152028 166.3
[M+H-H2O]+ 255.186130 159.3
[M+HCOO]- 317.187071 180.5
[M+CH3COO]- 331.202721 175.9
[M+Na-2H]- 293.163536 169.5
[M]+ 272.18832142 164.3
[M]- 272.18941858 164.3
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.