CID 3088218

117112-28-4

Structural Information

Molecular Formula
C15H30Cl2N3O3P
SMILES
CCOC(=O)C1CCC(CC1)NP(=O)(N(C)C)N(CCCl)CCCl
InChI
InChI=1S/C15H30Cl2N3O3P/c1-4-23-15(21)13-5-7-14(8-6-13)18-24(22,19(2)3)20(11-9-16)12-10-17/h13-14H,4-12H2,1-3H3,(H,18,22)
InChIKey
UFDURXXGGXZWCG-UHFFFAOYSA-N
Compound name
ethyl 4-[[bis(2-chloroethyl)amino-(dimethylamino)phosphoryl]amino]cyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.1402 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.14748 193.0
[M+Na]+ 424.12942 195.1
[M-H]- 400.13292 196.2
[M+NH4]+ 419.17402 206.4
[M+K]+ 440.10336 192.9
[M+H-H2O]+ 384.13746 185.1
[M+HCOO]- 446.13840 209.7
[M+CH3COO]- 460.15405 232.7
[M+Na-2H]- 422.11487 189.8
[M]+ 401.13965 198.2
[M]- 401.14075 198.2
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.