CID 3074983

Dtxsid10937691

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 201.9
[M+Na]+ 466.13998 201.5
[M-H]- 442.14348 204.8
[M+NH4]+ 461.18458 209.7
[M+K]+ 482.11392 199.5
[M+H-H2O]+ 426.14802 191.6
[M+HCOO]- 488.14896 211.2
[M+CH3COO]- 502.16461 232.2
[M+Na-2H]- 464.12543 198.6
[M]+ 443.15021 202.6
[M]- 443.15131 202.6
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.