CID 3049877

6-ethyl-3-methyl-2,3,3a,4,5,6-hexahydro-6-canthinol hydrochloride

Structural Information

Molecular Formula
C17H22N2O
SMILES
CCC1(CCC2C3=C(CCN2C)C4=CC=CC=C4N31)O
InChI
InChI=1S/C17H22N2O/c1-3-17(20)10-8-15-16-13(9-11-18(15)2)12-6-4-5-7-14(12)19(16)17/h4-7,15,20H,3,8-11H2,1-2H3
InChIKey
CNHDPYFFCXQVQI-UHFFFAOYSA-N
Compound name
2-ethyl-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.17322 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.18050 164.5
[M+Na]+ 293.16244 178.2
[M+NH4]+ 288.20704 175.8
[M+K]+ 309.13638 169.8
[M-H]- 269.16594 166.8
[M+Na-2H]- 291.14789 168.8
[M]+ 270.17267 167.4
[M]- 270.17377 167.4
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.