CID 38685

Isoquinoline, 1,2,3,4-tetrahydro-4-phenyl-2,3,8-trimethyl-, (e)-

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 160.2
[M+Na]+ 274.15662 168.2
[M-H]- 250.16012 166.2
[M+NH4]+ 269.20122 177.4
[M+K]+ 290.13056 162.8
[M+H-H2O]+ 234.16466 151.6
[M+HCOO]- 296.16560 178.7
[M+CH3COO]- 310.18125 171.9
[M+Na-2H]- 272.14207 164.2
[M]+ 251.16685 158.4
[M]- 251.16795 158.4
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.