CID 3058011

N-dimethylallyl-5,9-dimethyl-2-hydroxy-6,7-benzomorphan fumarate

Structural Information

Molecular Formula
C20H29NO
SMILES
CC1C2CC3=C(C1(CCN2CCC=C(C)C)C)C=C(C=C3)O
InChI
InChI=1S/C20H29NO/c1-14(2)6-5-10-21-11-9-20(4)15(3)19(21)12-16-7-8-17(22)13-18(16)20/h6-8,13,15,19,22H,5,9-12H2,1-4H3
InChIKey
UMHNUFPNTBEAFE-UHFFFAOYSA-N
Compound name
1,13-dimethyl-10-(4-methylpent-3-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.2249 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.23218 176.3
[M+Na]+ 322.21412 182.1
[M-H]- 298.21762 176.3
[M+NH4]+ 317.25872 194.6
[M+K]+ 338.18806 176.4
[M+H-H2O]+ 282.22216 169.1
[M+HCOO]- 344.22310 187.0
[M+CH3COO]- 358.23875 207.8
[M+Na-2H]- 320.19957 178.2
[M]+ 299.22435 174.0
[M]- 299.22545 174.0
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.