CID 24704588

2-(1-oxo-1,2-dihydrophthalazin-2-yl)ethanethioamide

Structural Information

Molecular Formula
C10H9N3OS
SMILES
C1=CC=C2C(=C1)C=NN(C2=O)CC(=S)N
InChI
InChI=1S/C10H9N3OS/c11-9(15)6-13-10(14)8-4-2-1-3-7(8)5-12-13/h1-5H,6H2,(H2,11,15)
InChIKey
FKUQQTYKBFFCON-UHFFFAOYSA-N
Compound name
2-(1-oxophthalazin-2-yl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.04663 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.05391 144.5
[M+Na]+ 242.03585 157.6
[M+NH4]+ 237.08045 152.6
[M+K]+ 258.00979 149.4
[M-H]- 218.03935 146.5
[M+Na-2H]- 240.02130 150.6
[M]+ 219.04608 147.3
[M]- 219.04718 147.3
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.