CID 1382087

118864-75-8

Structural Information

Molecular Formula
C15H15N
SMILES
C1CN[C@H](C2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C15H15N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h1-9,15-16H,10-11H2/t15-/m0/s1
InChIKey
PRTRSEDVLBBFJZ-HNNXBMFYSA-N
Compound name
(1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

537
Patents

209.12045 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.12773 148.0
[M+Na]+ 232.10967 163.7
[M+NH4]+ 227.15427 158.7
[M+K]+ 248.08361 154.2
[M-H]- 208.11317 153.7
[M+Na-2H]- 230.09512 158.0
[M]+ 209.11990 152.1
[M]- 209.12100 152.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe