CID 3048935

64153-66-8

Structural Information

Molecular Formula
C11H19N2O5PS
SMILES
CCSP(=O)(OC1=C(C(=O)N(N=C1)C)OC)OC(C)C
InChI
InChI=1S/C11H19N2O5PS/c1-6-20-19(15,17-8(2)3)18-9-7-12-13(4)11(14)10(9)16-5/h7-8H,6H2,1-5H3
InChIKey
DTOLLRPUUIDLKP-UHFFFAOYSA-N
Compound name
5-[ethylsulfanyl(propan-2-yloxy)phosphoryl]oxy-4-methoxy-2-methylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.07523 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.08251 170.9
[M+Na]+ 345.06445 180.5
[M+NH4]+ 340.10905 175.0
[M+K]+ 361.03839 175.8
[M-H]- 321.06795 168.6
[M+Na-2H]- 343.04990 172.9
[M]+ 322.07468 171.7
[M]- 322.07578 171.7
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.