CID 3053561

1(2h)-phthalazinone, 6,7-dimethoxy-2-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino)propyl)-4-methyl-, monohydrochloride

Structural Information

Molecular Formula
C25H33N3O5
SMILES
CC1=NN(C(=O)C2=CC(=C(C=C12)OC)OC)CCCN(C)CCC3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C25H33N3O5/c1-17-19-15-23(32-5)24(33-6)16-20(19)25(29)28(26-17)12-7-11-27(2)13-10-18-8-9-21(30-3)22(14-18)31-4/h8-9,14-16H,7,10-13H2,1-6H3
InChIKey
VWBDEBLKSRUUQA-UHFFFAOYSA-N
Compound name
2-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-6,7-dimethoxy-4-methylphthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

455.24203 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.24931 214.3
[M+Na]+ 478.23125 222.0
[M-H]- 454.23475 220.6
[M+NH4]+ 473.27585 222.1
[M+K]+ 494.20519 219.0
[M+H-H2O]+ 438.23929 202.3
[M+HCOO]- 500.24023 234.0
[M+CH3COO]- 514.25588 243.9
[M+Na-2H]- 476.21670 214.5
[M]+ 455.24148 226.1
[M]- 455.24258 226.1
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

patents stripe