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]+ 347.19655 184.8
[M+Na]+ 369.17849 189.9
[M-H]- 345.18199 187.8
[M+NH4]+ 364.22309 196.1
[M+K]+ 385.15243 187.1
[M+H-H2O]+ 329.18653 175.5
[M+HCOO]- 391.18747 194.9
[M+CH3COO]- 405.20312 210.3
[M+Na-2H]- 367.16394 185.8
[M]+ 346.18872 182.5
[M]- 346.18982 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.