CID 3039870

Brn 0833892

Structural Information

Molecular Formula
C17H23N2O3PS2
SMILES
CC(C)OP(=S)(OC(C)C)SCN1C(=O)C=CC(=N1)C2=CC=CC=C2
InChI
InChI=1S/C17H23N2O3PS2/c1-13(2)21-23(24,22-14(3)4)25-12-19-17(20)11-10-16(18-19)15-8-6-5-7-9-15/h5-11,13-14H,12H2,1-4H3
InChIKey
UCSLITIPDUSCNV-UHFFFAOYSA-N
Compound name
2-[di(propan-2-yloxy)phosphinothioylsulfanylmethyl]-6-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.08878 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.09606 184.8
[M+Na]+ 421.07800 190.7
[M-H]- 397.08150 187.1
[M+NH4]+ 416.12260 194.2
[M+K]+ 437.05194 185.6
[M+H-H2O]+ 381.08604 173.5
[M+HCOO]- 443.08698 198.1
[M+CH3COO]- 457.10263 219.6
[M+Na-2H]- 419.06345 181.3
[M]+ 398.08823 190.8
[M]- 398.08933 190.8
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.