CID 198300

Brn 0844619

Structural Information

Molecular Formula
C20H37N2O4PS
SMILES
CCCCCCCCCCCCOC1=NN=C(C=C1)OP(=S)(OCC)OCC
InChI
InChI=1S/C20H37N2O4PS/c1-4-7-8-9-10-11-12-13-14-15-18-23-19-16-17-20(22-21-19)26-27(28,24-5-2)25-6-3/h16-17H,4-15,18H2,1-3H3
InChIKey
MOJMQRGOZHHYEM-UHFFFAOYSA-N
Compound name
(6-dodecoxypyridazin-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.22116 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.22844 207.1
[M+Na]+ 455.21038 209.8
[M-H]- 431.21388 204.9
[M+NH4]+ 450.25498 215.2
[M+K]+ 471.18432 206.1
[M+H-H2O]+ 415.21842 194.7
[M+HCOO]- 477.21936 225.1
[M+CH3COO]- 491.23501 228.7
[M+Na-2H]- 453.19583 203.6
[M]+ 432.22061 219.5
[M]- 432.22171 219.5
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.