CID 6912362

132680-95-6

Structural Information

Molecular Formula
C20H28N2O3
SMILES
CC1(CC2=CC(=C(C=C2/C(=C/C(=O)N3CCCCC3)/N1)OC)OC)C
InChI
InChI=1S/C20H28N2O3/c1-20(2)13-14-10-17(24-3)18(25-4)11-15(14)16(21-20)12-19(23)22-8-6-5-7-9-22/h10-12,21H,5-9,13H2,1-4H3/b16-12-
InChIKey
MNMSLPUDLIADEO-VBKFSLOCSA-N
Compound name
(2Z)-2-(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-piperidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.21 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.217276 186.0
[M+Na]+ 367.199218 190.7
[M-H]- 343.202724 188.1
[M+NH4]+ 362.243823 198.8
[M+K]+ 383.173158 186.0
[M+H-H2O]+ 327.207260 176.8
[M+HCOO]- 389.208201 196.5
[M+CH3COO]- 403.223851 210.8
[M+Na-2H]- 365.184666 185.7
[M]+ 344.20945142 181.9
[M]- 344.21054858 181.9
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.