CID 43865940

6,7-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C14H21NO2
SMILES
CCCC1C2=CC(=C(C=C2CCN1)OC)OC
InChI
InChI=1S/C14H21NO2/c1-4-5-12-11-9-14(17-3)13(16-2)8-10(11)6-7-15-12/h8-9,12,15H,4-7H2,1-3H3
InChIKey
ZGRPJQFNQKRAHZ-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

235.15723 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.16451 155.3
[M+Na]+ 258.14645 162.2
[M-H]- 234.14995 156.6
[M+NH4]+ 253.19105 172.7
[M+K]+ 274.12039 158.8
[M+H-H2O]+ 218.15449 148.3
[M+HCOO]- 280.15543 172.8
[M+CH3COO]- 294.17108 192.0
[M+Na-2H]- 256.13190 159.5
[M]+ 235.15668 155.6
[M]- 235.15778 155.6
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.