CID 3033053

Dezocine

Structural Information

Molecular Formula
C16H23NO
SMILES
C[C@]12CCCCC[C@H]([C@@H]1N)CC3=C2C=C(C=C3)O
InChI
InChI=1S/C16H23NO/c1-16-8-4-2-3-5-12(15(16)17)9-11-6-7-13(18)10-14(11)16/h6-7,10,12,15,18H,2-5,8-9,17H2,1H3/t12-,15-,16+/m0/s1
InChIKey
VTMVHDZWSFQSQP-VBNZEHGJSA-N
Compound name
(1R,9S,15S)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

171
References

15133
Patents

245.17796 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.18524 168.7
[M+Na]+ 268.16718 172.1
[M+NH4]+ 263.21178 172.1
[M+K]+ 284.14112 169.3
[M-H]- 244.17068 169.6
[M+Na-2H]- 266.15263 170.0
[M]+ 245.17741 169.4
[M]- 245.17851 169.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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