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 143.9
[M+Na]+ 242.03585 153.9
[M-H]- 218.03935 145.8
[M+NH4]+ 237.08045 161.0
[M+K]+ 258.00979 149.0
[M+H-H2O]+ 202.04389 136.8
[M+HCOO]- 264.04483 160.2
[M+CH3COO]- 278.06048 188.7
[M+Na-2H]- 240.02130 148.9
[M]+ 219.04608 144.8
[M]- 219.04718 144.8
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.