CID 3068611

3,4-dihydro-1-phenyl-n,n,7-trimethyl-3-isoquinolinemethanamine

Structural Information

Molecular Formula
C19H22N2
SMILES
CC1=CC2=C(CC(N=C2C3=CC=CC=C3)CN(C)C)C=C1
InChI
InChI=1S/C19H22N2/c1-14-9-10-16-12-17(13-21(2)3)20-19(18(16)11-14)15-7-5-4-6-8-15/h4-11,17H,12-13H2,1-3H3
InChIKey
KCZKRZSJEMDZDW-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.17828 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.18556 167.4
[M+Na]+ 301.16750 174.3
[M-H]- 277.17100 174.6
[M+NH4]+ 296.21210 183.5
[M+K]+ 317.14144 169.7
[M+H-H2O]+ 261.17554 157.9
[M+HCOO]- 323.17648 188.6
[M+CH3COO]- 337.19213 178.9
[M+Na-2H]- 299.15295 172.4
[M]+ 278.17773 167.6
[M]- 278.17883 167.6
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.