CID 3088219

117112-31-9

Structural Information

Molecular Formula
C15H28Cl2N3O3P
SMILES
CCOC(=O)C1CCC(CC1)NP(=O)(N2CC2)N(CCCl)CCCl
InChI
InChI=1S/C15H28Cl2N3O3P/c1-2-23-15(21)13-3-5-14(6-4-13)18-24(22,20-11-12-20)19(9-7-16)10-8-17/h13-14H,2-12H2,1H3,(H,18,22)
InChIKey
YQPVKQDAGSMACP-UHFFFAOYSA-N
Compound name
ethyl 4-[[aziridin-1-yl-[bis(2-chloroethyl)amino]phosphoryl]amino]cyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.12454 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.13182 186.4
[M+Na]+ 422.11376 190.2
[M-H]- 398.11726 190.2
[M+NH4]+ 417.15836 193.4
[M+K]+ 438.08770 185.5
[M+H-H2O]+ 382.12180 177.4
[M+HCOO]- 444.12274 200.6
[M+CH3COO]- 458.13839 226.8
[M+Na-2H]- 420.09921 184.2
[M]+ 399.12399 192.0
[M]- 399.12509 192.0
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.