CID 3071612

137927-72-1

Structural Information

Molecular Formula
C13H14N4O2S
SMILES
CC1=CC=C(C=C1)OC2=CC(=NC=N2)SCC(=O)NN
InChI
InChI=1S/C13H14N4O2S/c1-9-2-4-10(5-3-9)19-12-6-13(16-8-15-12)20-7-11(18)17-14/h2-6,8H,7,14H2,1H3,(H,17,18)
InChIKey
SUNRHUDZKNDCJJ-UHFFFAOYSA-N
Compound name
2-[6-(4-methylphenoxy)pyrimidin-4-yl]sulfanylacetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.08374 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.09102 163.6
[M+Na]+ 313.07296 170.9
[M-H]- 289.07646 167.4
[M+NH4]+ 308.11756 176.0
[M+K]+ 329.04690 166.1
[M+H-H2O]+ 273.08100 154.4
[M+HCOO]- 335.08194 181.6
[M+CH3COO]- 349.09759 203.2
[M+Na-2H]- 311.05841 167.2
[M]+ 290.08319 165.2
[M]- 290.08429 165.2
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.