CID 3052512

Brn 0836368

Structural Information

Molecular Formula
C12H21N2O4PS2
SMILES
CCOP(=S)(OC1=C(C(=O)N(N=C1)C)SCC)OC(C)C
InChI
InChI=1S/C12H21N2O4PS2/c1-6-16-19(20,17-9(3)4)18-10-8-13-14(5)12(15)11(10)21-7-2/h8-9H,6-7H2,1-5H3
InChIKey
LIDGNZYMPRSGMW-UHFFFAOYSA-N
Compound name
5-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-4-ethylsulfanyl-2-methylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.06802 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.07530 171.7
[M+Na]+ 375.05724 179.1
[M-H]- 351.06074 171.5
[M+NH4]+ 370.10184 183.7
[M+K]+ 391.03118 175.5
[M+H-H2O]+ 335.06528 161.7
[M+HCOO]- 397.06622 186.2
[M+CH3COO]- 411.08187 211.8
[M+Na-2H]- 373.04269 168.4
[M]+ 352.06747 181.0
[M]- 352.06857 181.0
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.