CID 198117

Brn 0893677

Structural Information

Molecular Formula
C14H25N2O4PS
SMILES
CCCCCCOC1=NN=C(C=C1)OP(=S)(OCC)OCC
InChI
InChI=1S/C14H25N2O4PS/c1-4-7-8-9-12-17-13-10-11-14(16-15-13)20-21(22,18-5-2)19-6-3/h10-11H,4-9,12H2,1-3H3
InChIKey
SEXOCCCIBBNSQN-UHFFFAOYSA-N
Compound name
diethoxy-(6-hexoxypyridazin-3-yl)oxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

348.12726 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.13454 180.8
[M+Na]+ 371.11648 186.3
[M-H]- 347.11998 179.8
[M+NH4]+ 366.16108 192.4
[M+K]+ 387.09042 183.9
[M+H-H2O]+ 331.12452 169.7
[M+HCOO]- 393.12546 200.9
[M+CH3COO]- 407.14111 211.1
[M+Na-2H]- 369.10193 180.1
[M]+ 348.12671 191.2
[M]- 348.12781 191.2
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