CID 107744

Aldophosphamide

Structural Information

Molecular Formula

C₇H₁₅Cl₂N₂O₃P

SMILES

C(COP(=O)(N)N(CCCl)CCCl)C=O

InChI

InChI=1S/C7H15Cl2N2O3P/c8-2-4-11(5-3-9)15(10,13)14-7-1-6-12/h6H,1-5,7H2,(H2,10,13)

InChIKey

QMGUSPDJTPDFSF-UHFFFAOYSA-N

Compound name

3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropanal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 40
References: 2073
Patents: 276.01974 Da
Monoisotopic Mass: -0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	277.02702	156.8
[M+Na]+	299.00896	164.4
[M+NH4]+	294.05356	162.3
[M+K]+	314.98290	159.9
[M-H]-	275.01246	154.6
[M+Na-2H]-	296.99441	158.3
[M]+	276.01919	157.3
[M]-	276.02029	157.3

Literature stripe

literature stripe

Patent stripe

patents stripe