CID 45544

Isoquinoline, n-methyl-5-ethoxy-6-methoxy-1,2,3,4-tetrahydro-, hydrochloride

Structural Information

Molecular Formula
C13H19NO2
SMILES
CCOC1=C(C=CC2=C1CCN(C2)C)OC
InChI
InChI=1S/C13H19NO2/c1-4-16-13-11-7-8-14(2)9-10(11)5-6-12(13)15-3/h5-6H,4,7-9H2,1-3H3
InChIKey
NJZKGADGSJQEGU-UHFFFAOYSA-N
Compound name
5-ethoxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.14159 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.148866 150.1
[M+Na]+ 244.130808 157.9
[M-H]- 220.134314 153.0
[M+NH4]+ 239.175413 168.8
[M+K]+ 260.104748 155.6
[M+H-H2O]+ 204.138850 143.0
[M+HCOO]- 266.139791 169.4
[M+CH3COO]- 280.155441 191.6
[M+Na-2H]- 242.116256 155.3
[M]+ 221.14104142 151.9
[M]- 221.14213858 151.9
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.