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 185.2
[M+Na]+ 398.07735 188.3
[M-H]- 374.08085 184.6
[M+NH4]+ 393.12195 199.0
[M+K]+ 414.05129 186.3
[M+H-H2O]+ 358.08539 177.9
[M+HCOO]- 420.08633 205.0
[M+CH3COO]- 434.10198 225.4
[M+Na-2H]- 396.06280 181.6
[M]+ 375.08758 194.6
[M]- 375.08868 194.6
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

patents stripe