CID 38685

40830-61-3

Structural Information

Molecular Formula
C18H21N
SMILES
C[C@H]1C(C2=CC=CC(=C2CN1C)C)C3=CC=CC=C3
InChI
InChI=1S/C18H21N/c1-13-8-7-11-16-17(13)12-19(3)14(2)18(16)15-9-5-4-6-10-15/h4-11,14,18H,12H2,1-3H3/t14-,18?/m0/s1
InChIKey
PVFFWVHINRQSKE-PIVQAISJSA-N
Compound name
(3S)-2,3,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.1674 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.17468 160.6
[M+Na]+ 274.15662 177.3
[M+NH4]+ 269.20122 171.1
[M+K]+ 290.13056 167.4
[M-H]- 250.16012 166.9
[M+Na-2H]- 272.14207 169.7
[M]+ 251.16685 165.1
[M]- 251.16795 165.1
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.