CID 6912371

126356-28-3

Structural Information

Molecular Formula
C17H24N2O4
SMILES
CC1(CC2=CC(=C(C=C2/C(=C/C(=O)NCCO)/N1)OC)OC)C
InChI
InChI=1S/C17H24N2O4/c1-17(2)10-11-7-14(22-3)15(23-4)8-12(11)13(19-17)9-16(21)18-5-6-20/h7-9,19-20H,5-6,10H2,1-4H3,(H,18,21)/b13-9-
InChIKey
KIQBRUSDGFLNCE-LCYFTJDESA-N
Compound name
(2Z)-2-(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(2-hydroxyethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1736 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.18088 175.6
[M+Na]+ 343.16282 181.9
[M-H]- 319.16632 175.7
[M+NH4]+ 338.20742 190.5
[M+K]+ 359.13676 178.0
[M+H-H2O]+ 303.17086 169.0
[M+HCOO]- 365.17180 191.2
[M+CH3COO]- 379.18745 207.1
[M+Na-2H]- 341.14827 177.9
[M]+ 320.17305 175.9
[M]- 320.17415 175.9
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

No patent data available for this compound.