CID 198314

Brn 0818900

Structural Information

Molecular Formula
C12H19N2O4PS
SMILES
COP(=S)(OC)OC1=NN=C(C=C1)OC2CCCCC2
InChI
InChI=1S/C12H19N2O4PS/c1-15-19(20,16-2)18-12-9-8-11(13-14-12)17-10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3
InChIKey
GLEMHGLQAWXSER-UHFFFAOYSA-N
Compound name
(6-cyclohexyloxypyridazin-3-yl)oxy-dimethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.08032 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.08760 168.2
[M+Na]+ 341.06954 172.8
[M-H]- 317.07304 170.1
[M+NH4]+ 336.11414 180.3
[M+K]+ 357.04348 171.2
[M+H-H2O]+ 301.07758 156.9
[M+HCOO]- 363.07852 186.2
[M+CH3COO]- 377.09417 202.0
[M+Na-2H]- 339.05499 168.3
[M]+ 318.07977 171.0
[M]- 318.08087 171.0
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.