CID 87259

17702-78-2

Structural Information

Molecular Formula
C11H19N2O2PS2
SMILES
CCOP(=S)(OC(C)C)SC1=NC(=CC(=N1)C)C
InChI
InChI=1S/C11H19N2O2PS2/c1-6-14-16(17,15-8(2)3)18-11-12-9(4)7-10(5)13-11/h7-8H,6H2,1-5H3
InChIKey
IQYJDJBTQWOOOH-UHFFFAOYSA-N
Compound name
(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethoxy-propan-2-yloxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.06256 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.06984 162.3
[M+Na]+ 329.05178 169.8
[M-H]- 305.05528 162.1
[M+NH4]+ 324.09638 176.2
[M+K]+ 345.02572 166.0
[M+H-H2O]+ 289.05982 152.5
[M+HCOO]- 351.06076 176.6
[M+CH3COO]- 365.07641 204.4
[M+Na-2H]- 327.03723 159.2
[M]+ 306.06201 168.9
[M]- 306.06311 168.9
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.