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]+ 364.086556 186.8
[M+Na]+ 386.068498 196.7
[M-H]- 362.072004 193.9
[M+NH4]+ 381.113103 200.9
[M+K]+ 402.042438 191.3
[M+H-H2O]+ 346.076540 179.4
[M+HCOO]- 408.077481 192.6
[M+CH3COO]- 422.093131 197.0
[M+Na-2H]- 384.053946 187.8
[M]+ 363.07873142 191.3
[M]- 363.07982858 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.