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

22
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 161.5
[M+Na]+ 314.01986 167.6
[M-H]- 290.02336 161.0
[M+NH4]+ 309.06446 178.5
[M+K]+ 329.99380 164.6
[M+H-H2O]+ 274.02790 155.2
[M+HCOO]- 336.02884 183.1
[M+CH3COO]- 350.04449 206.8
[M+Na-2H]- 312.00531 163.4
[M]+ 291.03009 167.7
[M]- 291.03119 167.7
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

patents stripe