CID 45486

63937-51-9

Structural Information

Molecular Formula
C19H19Cl2NO2
SMILES
CN1CCC2=CC3=C(C=C2C1CCC4=CC(=C(C=C4)Cl)Cl)OCO3
InChI
InChI=1S/C19H19Cl2NO2/c1-22-7-6-13-9-18-19(24-11-23-18)10-14(13)17(22)5-3-12-2-4-15(20)16(21)8-12/h2,4,8-10,17H,3,5-7,11H2,1H3
InChIKey
SBDZLMFOZROLRX-UHFFFAOYSA-N
Compound name
5-[2-(3,4-dichlorophenyl)ethyl]-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.07928 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.08656 186.8
[M+Na]+ 386.06850 196.7
[M-H]- 362.07200 193.9
[M+NH4]+ 381.11310 200.9
[M+K]+ 402.04244 191.3
[M+H-H2O]+ 346.07654 179.4
[M+HCOO]- 408.07748 192.6
[M+CH3COO]- 422.09313 197.0
[M+Na-2H]- 384.05395 187.8
[M]+ 363.07873 191.3
[M]- 363.07983 191.3
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.