CID 3071615

137927-75-4

Structural Information

Molecular Formula
C12H11ClN4O2S
SMILES
C1=CC(=CC=C1OC2=CC(=NC=N2)SCC(=O)NN)Cl
InChI
InChI=1S/C12H11ClN4O2S/c13-8-1-3-9(4-2-8)19-11-5-12(16-7-15-11)20-6-10(18)17-14/h1-5,7H,6,14H2,(H,17,18)
InChIKey
WRMHKXIWDZVDJX-UHFFFAOYSA-N
Compound name
2-[6-(4-chlorophenoxy)pyrimidin-4-yl]sulfanylacetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.0291 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.03638 164.1
[M+Na]+ 333.01832 172.4
[M-H]- 309.02182 168.0
[M+NH4]+ 328.06292 176.6
[M+K]+ 348.99226 166.5
[M+H-H2O]+ 293.02636 155.9
[M+HCOO]- 355.02730 177.9
[M+CH3COO]- 369.04295 203.9
[M+Na-2H]- 331.00377 167.8
[M]+ 310.02855 167.5
[M]- 310.02965 167.5
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.