CID 201736

1-hexyltetrahydronorharman hydrochloride

Structural Information

Molecular Formula
C17H24N2
SMILES
CCCCCCC1C2=C(CCN1)C3=CC=CC=C3N2
InChI
InChI=1S/C17H24N2/c1-2-3-4-5-10-16-17-14(11-12-18-16)13-8-6-7-9-15(13)19-17/h6-9,16,18-19H,2-5,10-12H2,1H3
InChIKey
UBNGZHIXVPLOOX-UHFFFAOYSA-N
Compound name
1-hexyl-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

256.19394 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.20122 162.9
[M+Na]+ 279.18316 169.7
[M-H]- 255.18666 162.1
[M+NH4]+ 274.22776 179.9
[M+K]+ 295.15710 162.4
[M+H-H2O]+ 239.19120 155.1
[M+HCOO]- 301.19214 178.2
[M+CH3COO]- 315.20779 172.6
[M+Na-2H]- 277.16861 166.8
[M]+ 256.19339 160.6
[M]- 256.19449 160.6
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.