CID 3042366

59631-22-0

Structural Information

Molecular Formula
C16H21N2O5PS
SMILES
CCOP(=S)(OC1=C(C(=O)N(N=C1)C2=CC=CC=C2)OC)OC(C)C
InChI
InChI=1S/C16H21N2O5PS/c1-5-21-24(25,22-12(2)3)23-14-11-17-18(16(19)15(14)20-4)13-9-7-6-8-10-13/h6-12H,5H2,1-4H3
InChIKey
CFJWGWZIHZMYPN-UHFFFAOYSA-N
Compound name
5-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-4-methoxy-2-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.09088 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.09816 185.3
[M+Na]+ 407.08010 196.8
[M+NH4]+ 402.12470 189.8
[M+K]+ 423.05404 190.6
[M-H]- 383.08360 185.8
[M+Na-2H]- 405.06555 190.6
[M]+ 384.09033 187.3
[M]- 384.09143 187.3
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.