CID 3067550

81733-22-4

Structural Information

Molecular Formula
C10H22ClN4O7PS
SMILES
CN(CCOS(=O)(=O)C)P1(=O)N(C(CCO1)ONC(=O)N)CCCl
InChI
InChI=1S/C10H22ClN4O7PS/c1-14(6-8-21-24(2,18)19)23(17)15(5-4-11)9(3-7-20-23)22-13-10(12)16/h9H,3-8H2,1-2H3,(H3,12,13,16)
InChIKey
WHNDFLVQFYLJAK-UHFFFAOYSA-N
Compound name
2-[[4-(carbamoylamino)oxy-3-(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-yl]-methylamino]ethyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.06354 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.07082 176.3
[M+Na]+ 431.05276 179.8
[M-H]- 407.05626 178.2
[M+NH4]+ 426.09736 187.2
[M+K]+ 447.02670 180.6
[M+H-H2O]+ 391.06080 168.4
[M+HCOO]- 453.06174 192.4
[M+CH3COO]- 467.07739 225.0
[M+Na-2H]- 429.03821 178.3
[M]+ 408.06299 183.3
[M]- 408.06409 183.3
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.