CID 198113

Brn 0890989

Structural Information

Molecular Formula
C11H19N2O4PS
SMILES
CCOP(=S)(OCC)OC1=NN=C(C=C1)OC(C)C
InChI
InChI=1S/C11H19N2O4PS/c1-5-14-18(19,15-6-2)17-11-8-7-10(12-13-11)16-9(3)4/h7-9H,5-6H2,1-4H3
InChIKey
WNRBXAAWPBCSOX-UHFFFAOYSA-N
Compound name
diethoxy-(6-propan-2-yloxypyridazin-3-yl)oxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

306.08032 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.08760 167.2
[M+Na]+ 329.06954 173.7
[M-H]- 305.07304 166.9
[M+NH4]+ 324.11414 180.5
[M+K]+ 345.04348 172.6
[M+H-H2O]+ 289.07758 156.9
[M+HCOO]- 351.07852 187.2
[M+CH3COO]- 365.09417 203.0
[M+Na-2H]- 327.05499 166.9
[M]+ 306.07977 176.0
[M]- 306.08087 176.0
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

patents stripe