CID 39061

41958-61-6

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]+ 253.16992 160.4
[M+Na]+ 275.15186 175.7
[M+NH4]+ 270.19646 170.4
[M+K]+ 291.12580 166.7
[M-H]- 251.15536 166.8
[M+Na-2H]- 273.13731 168.9
[M]+ 252.16209 164.6
[M]- 252.16319 164.6
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.