CID 180081

Dizocilpine

Structural Information

Molecular Formula
C16H15N
SMILES
C[C@@]12C3=CC=CC=C3C[C@@H](N1)C4=CC=CC=C24
InChI
InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15-,16+/m1/s1
InChIKey
LBOJYSIDWZQNJS-CVEARBPZSA-N
Compound name
(1S,9R)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

8160
References

6047
Patents

221.12045 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12773 150.0
[M+Na]+ 244.10967 159.4
[M-H]- 220.11317 152.4
[M+NH4]+ 239.15427 173.9
[M+K]+ 260.08361 152.6
[M+H-H2O]+ 204.11771 143.0
[M+HCOO]- 266.11865 166.5
[M+CH3COO]- 280.13430 162.1
[M+Na-2H]- 242.09512 158.3
[M]+ 221.11990 148.0
[M]- 221.12100 148.0
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.