CID 3064581

Phosglycin

Structural Information

Molecular Formula
C14H31N2O3PS
SMILES
CCCN(CCC)C(=O)CN(CC)P(=S)(OCC)OCC
InChI
InChI=1S/C14H31N2O3PS/c1-6-11-15(12-7-2)14(17)13-16(8-3)20(21,18-9-4)19-10-5/h6-13H2,1-5H3
InChIKey
CGNIOVDMKMGGSL-UHFFFAOYSA-N
Compound name
2-[diethoxyphosphinothioyl(ethyl)amino]-N,N-dipropylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1202
Patents

338.1793 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.18658 184.0
[M+Na]+ 361.16852 186.2
[M-H]- 337.17202 184.7
[M+NH4]+ 356.21312 199.4
[M+K]+ 377.14246 186.4
[M+H-H2O]+ 321.17656 174.0
[M+HCOO]- 383.17750 206.7
[M+CH3COO]- 397.19315 223.1
[M+Na-2H]- 359.15397 179.9
[M]+ 338.17875 194.2
[M]- 338.17985 194.2
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

patents stripe