CID 3051774

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

Structural Information

Molecular Formula
C18H22N2O
SMILES
CN1CCC2=C3C1CCC(N3C4=CC=CC=C24)(CC=C)O
InChI
InChI=1S/C18H22N2O/c1-3-10-18(21)11-8-16-17-14(9-12-19(16)2)13-6-4-5-7-15(13)20(17)18/h3-7,16,21H,1,8-12H2,2H3
InChIKey
SRXUGEZPXRZUIG-UHFFFAOYSA-N
Compound name
6-methyl-2-prop-2-enyl-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

282.17322 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.180496 168.6
[M+Na]+ 305.162438 177.5
[M-H]- 281.165944 169.9
[M+NH4]+ 300.207043 188.6
[M+K]+ 321.136378 170.7
[M+H-H2O]+ 265.170480 160.4
[M+HCOO]- 327.171421 182.1
[M+CH3COO]- 341.187071 178.9
[M+Na-2H]- 303.147886 172.9
[M]+ 282.17267142 167.8
[M]- 282.17376858 167.8
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.