CID 39060

41958-59-2

Structural Information

Molecular Formula
C17H17Cl2N
SMILES
C[C@H]1C(C2=C(CN1C)C(=CC(=C2)Cl)Cl)C3=CC=CC=C3
InChI
InChI=1S/C17H17Cl2N/c1-11-17(12-6-4-3-5-7-12)14-8-13(18)9-16(19)15(14)10-20(11)2/h3-9,11,17H,10H2,1-2H3/t11-,17?/m0/s1
InChIKey
LFGXADJAACAGEQ-PIJUOJQZSA-N
Compound name
(3S)-6,8-dichloro-2,3-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.0738 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.08108 168.8
[M+Na]+ 328.06302 179.2
[M-H]- 304.06652 174.0
[M+NH4]+ 323.10762 185.3
[M+K]+ 344.03696 171.4
[M+H-H2O]+ 288.07106 161.5
[M+HCOO]- 350.07200 177.8
[M+CH3COO]- 364.08765 179.9
[M+Na-2H]- 326.04847 171.2
[M]+ 305.07325 170.5
[M]- 305.07435 170.5
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.