CID 495121

Nsc644295

Structural Information

Molecular Formula
C14H20N2O
SMILES
CC(COC)N=CN1CCC2=CC=CC=C2C1
InChI
InChI=1S/C14H20N2O/c1-12(10-17-2)15-11-16-8-7-13-5-3-4-6-14(13)9-16/h3-6,11-12H,7-10H2,1-2H3
InChIKey
DEWVRBXOTYBPPI-UHFFFAOYSA-N
Compound name
1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-methoxypropan-2-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.15756 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.16484 154.3
[M+Na]+ 255.14678 159.4
[M-H]- 231.15028 157.6
[M+NH4]+ 250.19138 172.1
[M+K]+ 271.12072 157.0
[M+H-H2O]+ 215.15482 146.2
[M+HCOO]- 277.15576 174.8
[M+CH3COO]- 291.17141 197.1
[M+Na-2H]- 253.13223 160.0
[M]+ 232.15701 153.9
[M]- 232.15811 153.9
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.