CID 39058

41958-58-1

Structural Information

Molecular Formula
C17H18ClN
SMILES
C[C@H]1C(C2=C(CN1C)C=CC(=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C17H18ClN/c1-12-17(13-6-4-3-5-7-13)16-10-15(18)9-8-14(16)11-19(12)2/h3-10,12,17H,11H2,1-2H3/t12-,17?/m0/s1
InChIKey
HRSGONAGZQYIQH-WHUIICBVSA-N
Compound name
(3S)-6-chloro-2,3-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.11276 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12004 162.1
[M+Na]+ 294.10198 179.9
[M+NH4]+ 289.14658 173.1
[M+K]+ 310.07592 169.3
[M-H]- 270.10548 168.5
[M+Na-2H]- 292.08743 171.6
[M]+ 271.11221 167.2
[M]- 271.11331 167.2
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.