CID 3041661

5-morpholinoacetamidophtalazine-1,4-dione hydrochloride

Structural Information

Molecular Formula
C14H16N4O4
SMILES
C1COCCN1CC(=O)NC2=CC=CC3=C2C(=O)NNC3=O
InChI
InChI=1S/C14H16N4O4/c19-11(8-18-4-6-22-7-5-18)15-10-3-1-2-9-12(10)14(21)17-16-13(9)20/h1-3H,4-8H2,(H,15,19)(H,16,20)(H,17,21)
InChIKey
HUPLKFHCNLHSKZ-UHFFFAOYSA-N
Compound name
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-morpholin-4-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.11716 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.12444 168.4
[M+Na]+ 327.10638 174.6
[M-H]- 303.10988 169.5
[M+NH4]+ 322.15098 176.6
[M+K]+ 343.08032 170.2
[M+H-H2O]+ 287.11442 158.4
[M+HCOO]- 349.11536 181.4
[M+CH3COO]- 363.13101 200.0
[M+Na-2H]- 325.09183 173.6
[M]+ 304.11661 163.8
[M]- 304.11771 163.8
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.