CID 3071383

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

Structural Information

Molecular Formula
C16H22N2O
SMILES
CCCCC1C2=C(CCN1)C3=C(N2)C=CC(=C3)OC
InChI
InChI=1S/C16H22N2O/c1-3-4-5-15-16-12(8-9-17-15)13-10-11(19-2)6-7-14(13)18-16/h6-7,10,15,17-18H,3-5,8-9H2,1-2H3
InChIKey
UVZBXZXTVMZOSU-UHFFFAOYSA-N
Compound name
1-butyl-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

258.17322 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.180496 162.1
[M+Na]+ 281.162438 170.0
[M-H]- 257.165944 161.9
[M+NH4]+ 276.207043 179.3
[M+K]+ 297.136378 163.7
[M+H-H2O]+ 241.170480 154.6
[M+HCOO]- 303.171421 177.8
[M+CH3COO]- 317.187071 172.4
[M+Na-2H]- 279.147886 165.8
[M]+ 258.17267142 161.2
[M]- 258.17376858 161.2
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.