CID 3071613

Brn 5444936

Structural Information

Molecular Formula
C12H12N4O2S
SMILES
C1=CC=C(C=C1)OC2=CC(=NC=N2)SCC(=O)NN
InChI
InChI=1S/C12H12N4O2S/c13-16-10(17)7-19-12-6-11(14-8-15-12)18-9-4-2-1-3-5-9/h1-6,8H,7,13H2,(H,16,17)
InChIKey
LNJSSGABUQZOPP-UHFFFAOYSA-N
Compound name
2-(6-phenoxypyrimidin-4-yl)sulfanylacetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.06808 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.07536 158.5
[M+Na]+ 299.05730 165.4
[M-H]- 275.06080 162.1
[M+NH4]+ 294.10190 171.2
[M+K]+ 315.03124 160.7
[M+H-H2O]+ 259.06534 149.3
[M+HCOO]- 321.06628 176.8
[M+CH3COO]- 335.08193 199.0
[M+Na-2H]- 297.04275 163.3
[M]+ 276.06753 159.3
[M]- 276.06863 159.3
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.