CID 3055500

72538-13-7

Structural Information

Molecular Formula
C14H25N2O5PS
SMILES
CCCCN1C(=O)C(=C(C=N1)OP(=S)(OCC)OC(C)C)OC
InChI
InChI=1S/C14H25N2O5PS/c1-6-8-9-16-14(17)13(18-5)12(10-15-16)21-22(23,19-7-2)20-11(3)4/h10-11H,6-9H2,1-5H3
InChIKey
QGHYJZZMKDYXJR-UHFFFAOYSA-N
Compound name
2-butyl-5-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-4-methoxypyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.1222 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.12948 181.3
[M+Na]+ 387.11142 188.1
[M-H]- 363.11492 181.1
[M+NH4]+ 382.15602 192.6
[M+K]+ 403.08536 186.4
[M+H-H2O]+ 347.11946 170.8
[M+HCOO]- 409.12040 200.6
[M+CH3COO]- 423.13605 215.6
[M+Na-2H]- 385.09687 178.8
[M]+ 364.12165 192.6
[M]- 364.12275 192.6
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.