CID 3005674

Nsc661198

Structural Information

Molecular Formula
C11H17N2O3PS
SMILES
CCOP(=O)(NC(=S)NC1=CC=CC=C1)OCC
InChI
InChI=1S/C11H17N2O3PS/c1-3-15-17(14,16-4-2)13-11(18)12-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H2,12,13,14,18)
InChIKey
UIJCQAWIPDUFBT-UHFFFAOYSA-N
Compound name
1-diethoxyphosphoryl-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.06976 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.07704 163.2
[M+Na]+ 311.05898 167.7
[M-H]- 287.06248 165.1
[M+NH4]+ 306.10358 178.9
[M+K]+ 327.03292 165.3
[M+H-H2O]+ 271.06702 153.5
[M+HCOO]- 333.06796 187.6
[M+CH3COO]- 347.08361 202.1
[M+Na-2H]- 309.04443 164.4
[M]+ 288.06921 166.8
[M]- 288.07031 166.8
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.