CID 3029037

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

Structural Information

Molecular Formula
C12H16N2O3
SMILES
COC1=C(C=C2CN(CCC2=C1)C(=O)N)OC
InChI
InChI=1S/C12H16N2O3/c1-16-10-5-8-3-4-14(12(13)15)7-9(8)6-11(10)17-2/h5-6H,3-4,7H2,1-2H3,(H2,13,15)
InChIKey
JDHYQKPDXXUSQD-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.11609 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.123366 151.9
[M+Na]+ 259.105308 159.2
[M-H]- 235.108814 154.5
[M+NH4]+ 254.149913 169.1
[M+K]+ 275.079248 157.3
[M+H-H2O]+ 219.113350 144.7
[M+HCOO]- 281.114291 171.4
[M+CH3COO]- 295.129941 194.5
[M+Na-2H]- 257.090756 155.9
[M]+ 236.11554142 151.7
[M]- 236.11663858 151.7
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.