CID 3039864

Brn 0674084

Structural Information

Molecular Formula
C12H21N2O3PS2
SMILES
CC1=NN(C(=O)C=C1)CSP(=S)(OC(C)C)OC(C)C
InChI
InChI=1S/C12H21N2O3PS2/c1-9(2)16-18(19,17-10(3)4)20-8-14-12(15)7-6-11(5)13-14/h6-7,9-10H,8H2,1-5H3
InChIKey
FLLJZESIBGROLI-UHFFFAOYSA-N
Compound name
2-[di(propan-2-yloxy)phosphinothioylsulfanylmethyl]-6-methylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.07312 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.08040 168.7
[M+Na]+ 359.06234 175.3
[M-H]- 335.06584 168.3
[M+NH4]+ 354.10694 181.1
[M+K]+ 375.03628 171.8
[M+H-H2O]+ 319.07038 158.8
[M+HCOO]- 381.07132 182.0
[M+CH3COO]- 395.08697 209.3
[M+Na-2H]- 357.04779 164.8
[M]+ 336.07257 175.8
[M]- 336.07367 175.8
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.