CID 22667

1,2,3,4-tetrahydro-6,7-dimethoxy-2,3-dimethylisoquinoline hydrochloride

Structural Information

Molecular Formula
C13H19NO2
SMILES
CC1CC2=CC(=C(C=C2CN1C)OC)OC
InChI
InChI=1S/C13H19NO2/c1-9-5-10-6-12(15-3)13(16-4)7-11(10)8-14(9)2/h6-7,9H,5,8H2,1-4H3
InChIKey
FPKSKXFZCSATTG-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-2,3-dimethyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

221.14159 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 149.8
[M+Na]+ 244.13081 158.5
[M-H]- 220.13431 153.2
[M+NH4]+ 239.17541 168.8
[M+K]+ 260.10475 156.3
[M+H-H2O]+ 204.13885 143.0
[M+HCOO]- 266.13979 169.1
[M+CH3COO]- 280.15544 192.8
[M+Na-2H]- 242.11626 154.4
[M]+ 221.14104 152.0
[M]- 221.14214 152.0
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