CID 197092

7568-40-3

Structural Information

Molecular Formula
C12H24Cl2N3O4P
SMILES
CCOC(=O)CNP(NCC(=O)OCC)N(CCCl)CCCl
InChI
InChI=1S/C12H24Cl2N3O4P/c1-3-20-11(18)9-15-22(16-10-12(19)21-4-2)17(7-5-13)8-6-14/h15-16H,3-10H2,1-2H3
InChIKey
KIWNGVJNFFGUIK-UHFFFAOYSA-N
Compound name
ethyl 2-[[bis(2-chloroethyl)amino-[(2-ethoxy-2-oxoethyl)amino]phosphanyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

375.08813 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.09541 184.5
[M+Na]+ 398.07735 189.0
[M+NH4]+ 393.12195 188.1
[M+K]+ 414.05129 185.2
[M-H]- 374.08085 182.0
[M+Na-2H]- 396.06280 183.5
[M]+ 375.08758 184.1
[M]- 375.08868 184.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.