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 168.3
[M+Na]+ 328.06302 186.8
[M+NH4]+ 323.10762 179.1
[M+K]+ 344.03696 175.7
[M-H]- 304.06652 174.4
[M+Na-2H]- 326.04847 177.2
[M]+ 305.07325 173.7
[M]- 305.07435 173.7
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.