CID 45548

N-methyl-6-methoxy-7-ethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula
C13H19NO2
SMILES
CCOC1=C(C=C2CCN(CC2=C1)C)OC
InChI
InChI=1S/C13H19NO2/c1-4-16-13-8-11-9-14(2)6-5-10(11)7-12(13)15-3/h7-8H,4-6,9H2,1-3H3
InChIKey
JLTLUCPGTYDLGU-UHFFFAOYSA-N
Compound name
7-ethoxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

221.14159 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 150.1
[M+Na]+ 244.13081 157.9
[M-H]- 220.13431 153.0
[M+NH4]+ 239.17541 168.8
[M+K]+ 260.10475 155.6
[M+H-H2O]+ 204.13885 143.0
[M+HCOO]- 266.13979 169.4
[M+CH3COO]- 280.15544 191.6
[M+Na-2H]- 242.11626 155.3
[M]+ 221.14104 151.9
[M]- 221.14214 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

patents stripe