CID 39061

Dtxsid60962110

Structural Information

Molecular Formula
C17H20N2
SMILES
C[C@H]1C(C2=C(CN1C)C=CC(=C2)N)C3=CC=CC=C3
InChI
InChI=1S/C17H20N2/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,11,18H2,1-2H3/t12-,17?/m0/s1
InChIKey
CSUHFLUDKKMUSA-WHUIICBVSA-N
Compound name
(3S)-2,3-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.16264 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.169916 160.4
[M+Na]+ 275.151858 168.1
[M-H]- 251.155364 166.1
[M+NH4]+ 270.196463 177.0
[M+K]+ 291.125798 162.5
[M+H-H2O]+ 235.159900 151.9
[M+HCOO]- 297.160841 179.7
[M+CH3COO]- 311.176491 171.8
[M+Na-2H]- 273.137306 164.5
[M]+ 252.16209142 156.8
[M]- 252.16318858 156.8
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.