CID 3057173

73972-84-6

Structural Information

Molecular Formula
C11H17N2O4PS
SMILES
CN(C)C(=O)NC1=CC=CC=C1OP(=S)(OC)OC
InChI
InChI=1S/C11H17N2O4PS/c1-13(2)11(14)12-9-7-5-6-8-10(9)17-18(19,15-3)16-4/h5-8H,1-4H3,(H,12,14)
InChIKey
ZQLKJLVEZLMUGQ-UHFFFAOYSA-N
Compound name
3-(2-dimethoxyphosphinothioyloxyphenyl)-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.06467 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.07195 165.3
[M+Na]+ 327.05389 170.5
[M-H]- 303.05739 169.0
[M+NH4]+ 322.09849 181.2
[M+K]+ 343.02783 170.3
[M+H-H2O]+ 287.06193 155.5
[M+HCOO]- 349.06287 190.4
[M+CH3COO]- 363.07852 208.8
[M+Na-2H]- 325.03934 165.6
[M]+ 304.06412 172.1
[M]- 304.06522 172.1
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.