CID 13770959

97139-12-3

Structural Information

Molecular Formula
C9H20ClN4O7PS
SMILES
CS(=O)(=O)OCCNP1(=O)N(C(CCO1)N(C(=O)N)O)CCCl
InChI
InChI=1S/C9H20ClN4O7PS/c1-23(18,19)21-7-4-12-22(17)13(5-3-10)8(2-6-20-22)14(16)9(11)15/h8,16H,2-7H2,1H3,(H2,11,15)(H,12,17)
InChIKey
HLHMRCGBVFJGMS-UHFFFAOYSA-N
Compound name
2-[[4-[carbamoyl(hydroxy)amino]-3-(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-yl]amino]ethyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.04788 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.05516 178.7
[M+Na]+ 417.03710 181.3
[M+NH4]+ 412.08170 181.5
[M+K]+ 433.01104 178.7
[M-H]- 393.04060 176.2
[M+Na-2H]- 415.02255 178.5
[M]+ 394.04733 178.2
[M]- 394.04843 178.2
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.