CID 13770958

97139-11-2

Structural Information

Molecular Formula
C9H20ClN4O7PS
SMILES
CS(=O)(=O)OCCN1C(CCOP1(=O)NCCCl)N(C(=O)N)O
InChI
InChI=1S/C9H20ClN4O7PS/c1-23(18,19)21-7-5-13-8(14(16)9(11)15)2-6-20-22(13,17)12-4-3-10/h8,16H,2-7H2,1H3,(H2,11,15)(H,12,17)
InChIKey
FHEWEBKCWNBLHC-UHFFFAOYSA-N
Compound name
2-[4-[carbamoyl(hydroxy)amino]-2-(2-chloroethylamino)-2-oxo-1,3,2lambda5-oxazaphosphinan-3-yl]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 172.3
[M+Na]+ 417.03710 175.8
[M-H]- 393.04060 172.9
[M+NH4]+ 412.08170 183.0
[M+K]+ 433.01104 176.0
[M+H-H2O]+ 377.04514 164.9
[M+HCOO]- 439.04608 187.2
[M+CH3COO]- 453.06173 220.0
[M+Na-2H]- 415.02255 174.3
[M]+ 394.04733 177.1
[M]- 394.04843 177.1
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.