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 177.4
[M+Na]+ 371.06646 182.6
[M-H]- 347.06996 177.1
[M+NH4]+ 366.11106 192.9
[M+K]+ 387.04040 179.9
[M+H-H2O]+ 331.07450 170.9
[M+HCOO]- 393.07544 196.8
[M+CH3COO]- 407.09109 216.9
[M+Na-2H]- 369.05191 177.4
[M]+ 348.07669 188.0
[M]- 348.07779 188.0
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.