CID 3074983

169811-11-4

Structural Information

Molecular Formula
C17H32Cl2N3O4P
SMILES
CCOC(=O)C1CCC(CC1)NP(=O)(N2CCOCC2)N(CCCl)CCCl
InChI
InChI=1S/C17H32Cl2N3O4P/c1-2-26-17(23)15-3-5-16(6-4-15)20-27(24,21(9-7-18)10-8-19)22-11-13-25-14-12-22/h15-16H,2-14H2,1H3,(H,20,24)
InChIKey
AWRKGYGIDOWVLA-UHFFFAOYSA-N
Compound name
ethyl 4-[[bis(2-chloroethyl)amino-morpholin-4-ylphosphoryl]amino]cyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.15076 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.15804 199.5
[M+Na]+ 466.13998 205.3
[M+NH4]+ 461.18458 204.0
[M+K]+ 482.11392 200.9
[M-H]- 442.14348 201.5
[M+Na-2H]- 464.12543 200.5
[M]+ 443.15021 200.8
[M]- 443.15131 200.8
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.