CID 3068611

83658-16-6

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]+ 279.185556 167.4
[M+Na]+ 301.167498 174.3
[M-H]- 277.171004 174.6
[M+NH4]+ 296.212103 183.5
[M+K]+ 317.141438 169.7
[M+H-H2O]+ 261.175540 157.9
[M+HCOO]- 323.176481 188.6
[M+CH3COO]- 337.192131 178.9
[M+Na-2H]- 299.152946 172.4
[M]+ 278.17773142 167.6
[M]- 278.17882858 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.