CID 217591

Benzoic acid, 3,4,5-trimethoxy-, 1-(((3-methoxypropyl)methylamino)methyl)-2-(5,6,7-trimethoxy-1-oxo-2(1h)-phthalazinyl)ethyl ester, monohydrochloride

Structural Information

Molecular Formula
C29H39N3O10
SMILES
CN(CCCOC)CC(CN1C(=O)C2=CC(=C(C(=C2C=N1)OC)OC)OC)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C29H39N3O10/c1-31(10-9-11-35-2)16-19(42-29(34)18-12-22(36-3)26(40-7)23(13-18)37-4)17-32-28(33)20-14-24(38-5)27(41-8)25(39-6)21(20)15-30-32/h12-15,19H,9-11,16-17H2,1-8H3
InChIKey
VSSQAZNSMIKLRX-UHFFFAOYSA-N
Compound name
[1-[3-methoxypropyl(methyl)amino]-3-(5,6,7-trimethoxy-1-oxophthalazin-2-yl)propan-2-yl] 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

589.26355 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 590.27083 239.9
[M+Na]+ 612.25277 250.1
[M+NH4]+ 607.29737 240.4
[M+K]+ 628.22671 246.6
[M-H]- 588.25627 240.3
[M+Na-2H]- 610.23822 241.2
[M]+ 589.26300 241.0
[M]- 589.26410 241.0
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.