CID 215435

35690-53-0

Structural Information

Molecular Formula
C19H24N2O2
SMILES
CC1=CC(=C(C=C1)N)CN2CCC3=CC(=C(C=C3C2)OC)OC
InChI
InChI=1S/C19H24N2O2/c1-13-4-5-17(20)16(8-13)12-21-7-6-14-9-18(22-2)19(23-3)10-15(14)11-21/h4-5,8-10H,6-7,11-12,20H2,1-3H3
InChIKey
FLCIKOUZKLRUHG-UHFFFAOYSA-N
Compound name
2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.18378 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.19106 176.5
[M+Na]+ 335.17300 183.8
[M-H]- 311.17650 182.1
[M+NH4]+ 330.21760 190.7
[M+K]+ 351.14694 179.2
[M+H-H2O]+ 295.18104 167.3
[M+HCOO]- 357.18198 195.4
[M+CH3COO]- 371.19763 212.3
[M+Na-2H]- 333.15845 178.8
[M]+ 312.18323 176.8
[M]- 312.18433 176.8
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.