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]+ 259.18050 162.1
[M+Na]+ 281.16244 170.0
[M-H]- 257.16594 161.9
[M+NH4]+ 276.20704 179.3
[M+K]+ 297.13638 163.7
[M+H-H2O]+ 241.17048 154.6
[M+HCOO]- 303.17142 177.8
[M+CH3COO]- 317.18707 172.4
[M+Na-2H]- 279.14789 165.8
[M]+ 258.17267 161.2
[M]- 258.17377 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.