CID 198321

Brn 0831692

Structural Information

Molecular Formula
C16H29N2O4PS
SMILES
CC(C)CC(C)OC1=NN=C(C=C1)OP(=S)(OC(C)C)OC(C)C
InChI
InChI=1S/C16H29N2O4PS/c1-11(2)10-14(7)19-15-8-9-16(18-17-15)22-23(24,20-12(3)4)21-13(5)6/h8-9,11-14H,10H2,1-7H3
InChIKey
NTOXAXYUBQMUEI-UHFFFAOYSA-N
Compound name
[6-(4-methylpentan-2-yloxy)pyridazin-3-yl]oxy-di(propan-2-yloxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.15857 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.16585 187.7
[M+Na]+ 399.14779 191.2
[M-H]- 375.15129 186.9
[M+NH4]+ 394.19239 198.0
[M+K]+ 415.12173 190.7
[M+H-H2O]+ 359.15583 177.1
[M+HCOO]- 421.15677 203.1
[M+CH3COO]- 435.17242 220.2
[M+Na-2H]- 397.13324 182.4
[M]+ 376.15802 196.7
[M]- 376.15912 196.7
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.