CID 199026

3639-67-6

Structural Information

Molecular Formula
C17H21Cl2NO
SMILES
CC1C2CC3=C(C1(CCN2CC=C(Cl)Cl)C)C=C(C=C3)O
InChI
InChI=1S/C17H21Cl2NO/c1-11-15-9-12-3-4-13(21)10-14(12)17(11,2)6-8-20(15)7-5-16(18)19/h3-5,10-11,15,21H,6-9H2,1-2H3
InChIKey
OVHMDCNCGNYQQT-UHFFFAOYSA-N
Compound name
10-(3,3-dichloroprop-2-enyl)-1,13-dimethyl-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

325.1 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.10728 172.6
[M+Na]+ 348.08922 186.6
[M+NH4]+ 343.13382 183.6
[M+K]+ 364.06316 175.5
[M-H]- 324.09272 174.3
[M+Na-2H]- 346.07467 176.4
[M]+ 325.09945 175.9
[M]- 325.10055 175.9
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.