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]+ 321.180876 175.6
[M+Na]+ 343.162818 181.9
[M-H]- 319.166324 175.7
[M+NH4]+ 338.207423 190.5
[M+K]+ 359.136758 178.0
[M+H-H2O]+ 303.170860 169.0
[M+HCOO]- 365.171801 191.2
[M+CH3COO]- 379.187451 207.1
[M+Na-2H]- 341.148266 177.9
[M]+ 320.17305142 175.9
[M]- 320.17414858 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.