CID 3055501

72538-14-8

Structural Information

Molecular Formula
C15H27N2O5PS
SMILES
CCCCCN1C(=O)C(=C(C=N1)OP(=S)(OCC)OC(C)C)OC
InChI
InChI=1S/C15H27N2O5PS/c1-6-8-9-10-17-15(18)14(19-5)13(11-16-17)22-23(24,20-7-2)21-12(3)4/h11-12H,6-10H2,1-5H3
InChIKey
BKCKQRUYIWXNDZ-UHFFFAOYSA-N
Compound name
5-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-4-methoxy-2-pentylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.13782 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.14510 185.8
[M+Na]+ 401.12704 192.2
[M-H]- 377.13054 185.4
[M+NH4]+ 396.17164 196.5
[M+K]+ 417.10098 190.2
[M+H-H2O]+ 361.13508 175.1
[M+HCOO]- 423.13602 204.8
[M+CH3COO]- 437.15167 218.5
[M+Na-2H]- 399.11249 182.8
[M]+ 378.13727 197.5
[M]- 378.13837 197.5
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.