CID 9556432

Ketone, 6,7-dimethoxy-1-isoquinolyl 3,4-dimethoxyphenyl, o-(1-((2-morpholinoethyl)carbamoyl)methyl)oxime, dihydrochloride

Structural Information

Molecular Formula
C28H34N4O7
SMILES
COC1=C(C=C(C=C1)/C(=N\OCC(=O)NCCN2CCOCC2)/C3=NC=CC4=CC(=C(C=C43)OC)OC)OC
InChI
InChI=1S/C28H34N4O7/c1-34-22-6-5-20(16-23(22)35-2)27(31-39-18-26(33)29-9-10-32-11-13-38-14-12-32)28-21-17-25(37-4)24(36-3)15-19(21)7-8-30-28/h5-8,15-17H,9-14,18H2,1-4H3,(H,29,33)/b31-27+
InChIKey
JSDIQPKMPNEZGD-TVKQRKNISA-N
Compound name
2-[(E)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]amino]oxy-N-(2-morpholin-4-ylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

538.24274 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.25002 229.5
[M+Na]+ 561.23196 230.8
[M-H]- 537.23546 237.5
[M+NH4]+ 556.27656 230.2
[M+K]+ 577.20590 230.2
[M+H-H2O]+ 521.24000 215.2
[M+HCOO]- 583.24094 244.7
[M+CH3COO]- 597.25659 256.3
[M+Na-2H]- 559.21741 230.1
[M]+ 538.24219 235.6
[M]- 538.24329 235.6
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.