CID 3060583

B 874

Structural Information

Molecular Formula
C11H23Cl2N2O4P
SMILES
CCOP(=O)(NCCCOC(=O)C)N(CCCl)CCCl
InChI
InChI=1S/C11H23Cl2N2O4P/c1-3-19-20(17,15(8-5-12)9-6-13)14-7-4-10-18-11(2)16/h3-10H2,1-2H3,(H,14,17)
InChIKey
XSFQJKRUFQROIN-UHFFFAOYSA-N
Compound name
3-[[bis(2-chloroethyl)amino-ethoxyphosphoryl]amino]propyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.07724 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.08452 176.3
[M+Na]+ 371.06646 182.6
[M+NH4]+ 366.11106 180.6
[M+K]+ 387.04040 178.3
[M-H]- 347.06996 173.4
[M+Na-2H]- 369.05191 176.5
[M]+ 348.07669 176.3
[M]- 348.07779 176.3
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.