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]+ 345.21728 186.0
[M+Na]+ 367.19922 190.7
[M-H]- 343.20272 188.1
[M+NH4]+ 362.24382 198.8
[M+K]+ 383.17316 186.0
[M+H-H2O]+ 327.20726 176.8
[M+HCOO]- 389.20820 196.5
[M+CH3COO]- 403.22385 210.8
[M+Na-2H]- 365.18467 185.7
[M]+ 344.20945 181.9
[M]- 344.21055 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.