CID 495119

Nsc644293

Structural Information

Molecular Formula
C19H22N2O
SMILES
COCC(C1=CC=CC=C1)N=CN2CCC3=CC=CC=C3C2
InChI
InChI=1S/C19H22N2O/c1-22-14-19(17-8-3-2-4-9-17)20-15-21-12-11-16-7-5-6-10-18(16)13-21/h2-10,15,19H,11-14H2,1H3
InChIKey
VSGIUYXMYVVLOU-UHFFFAOYSA-N
Compound name
1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-1-phenylethyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.17322 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 170.3
[M+Na]+ 317.16244 174.4
[M-H]- 293.16594 176.3
[M+NH4]+ 312.20704 184.9
[M+K]+ 333.13638 170.0
[M+H-H2O]+ 277.17048 160.2
[M+HCOO]- 339.17142 190.4
[M+CH3COO]- 353.18707 207.9
[M+Na-2H]- 315.14789 175.8
[M]+ 294.17267 168.8
[M]- 294.17377 168.8
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.