CID 5389015

132680-96-7

Structural Information

Molecular Formula
C19H26N2O4
SMILES
CC1(CC2=CC(=C(C=C2/C(=C/C(=O)N3CCOCC3)/N1)OC)OC)C
InChI
InChI=1S/C19H26N2O4/c1-19(2)12-13-9-16(23-3)17(24-4)10-14(13)15(20-19)11-18(22)21-5-7-25-8-6-21/h9-11,20H,5-8,12H2,1-4H3/b15-11-
InChIKey
AIAADAAAVURKDN-PTNGSMBKSA-N
Compound name
(2Z)-2-(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-morpholin-4-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

346.18927 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.196546 184.8
[M+Na]+ 369.178488 189.9
[M-H]- 345.181994 187.8
[M+NH4]+ 364.223093 196.1
[M+K]+ 385.152428 187.1
[M+H-H2O]+ 329.186530 175.5
[M+HCOO]- 391.187471 194.9
[M+CH3COO]- 405.203121 210.3
[M+Na-2H]- 367.163936 185.8
[M]+ 346.18872142 182.5
[M]- 346.18981858 182.5
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.