CID 22667

Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2,3-dimethyl-, 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

9
Patents

221.14159 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.148866 149.8
[M+Na]+ 244.130808 158.5
[M-H]- 220.134314 153.2
[M+NH4]+ 239.175413 168.8
[M+K]+ 260.104748 156.3
[M+H-H2O]+ 204.138850 143.0
[M+HCOO]- 266.139791 169.1
[M+CH3COO]- 280.155441 192.8
[M+Na-2H]- 242.116256 154.4
[M]+ 221.14104142 152.0
[M]- 221.14213858 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