CID 3042367

59631-25-3

Structural Information

Molecular Formula
C17H23N2O5PS
SMILES
CCOP(=S)(OC1=C(C(=O)N(N=C1)CC2=CC=CC=C2)OC)OC(C)C
InChI
InChI=1S/C17H23N2O5PS/c1-5-22-25(26,23-13(2)3)24-15-11-18-19(17(20)16(15)21-4)12-14-9-7-6-8-10-14/h6-11,13H,5,12H2,1-4H3
InChIKey
IQEXOZXMMBCSBR-UHFFFAOYSA-N
Compound name
2-benzyl-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

398.10654 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.11382 189.3
[M+Na]+ 421.09576 196.0
[M-H]- 397.09926 192.3
[M+NH4]+ 416.14036 198.6
[M+K]+ 437.06970 193.2
[M+H-H2O]+ 381.10380 177.3
[M+HCOO]- 443.10474 209.0
[M+CH3COO]- 457.12039 220.3
[M+Na-2H]- 419.08121 187.7
[M]+ 398.10599 198.6
[M]- 398.10709 198.6
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.