CID 3067553

Aldophosphamide-oxime

Structural Information

Molecular Formula
C7H16Cl2N3O3P
SMILES
C(COP(=O)(N)N(CCCl)CCCl)/C=N/O
InChI
InChI=1S/C7H16Cl2N3O3P/c8-2-5-12(6-3-9)16(10,14)15-7-1-4-11-13/h4,13H,1-3,5-7H2,(H2,10,14)/b11-4+
InChIKey
GHTXIUJUEVFYHW-NYYWCZLTSA-N
Compound name
(NE)-N-[3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.03064 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.03792 161.1
[M+Na]+ 314.01986 167.4
[M+NH4]+ 309.06446 166.0
[M+K]+ 329.99380 163.3
[M-H]- 290.02336 159.1
[M+Na-2H]- 312.00531 162.2
[M]+ 291.03009 161.3
[M]- 291.03119 161.3
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.