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

8183
References

5555
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 151.2
[M+Na]+ 244.10967 165.9
[M+NH4]+ 239.15427 164.2
[M+K]+ 260.08361 156.2
[M-H]- 220.11317 154.5
[M+Na-2H]- 242.09512 157.4
[M]+ 221.11990 154.6
[M]- 221.12100 154.6
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

patents stripe