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: 2231
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	157.5
[M+Na]+	299.00896	164.6
[M-H]-	275.01246	157.1
[M+NH4]+	294.05356	175.5
[M+K]+	314.98290	161.4
[M+H-H2O]+	259.01700	151.7
[M+HCOO]-	321.01794	178.2
[M+CH3COO]-	335.03359	202.4
[M+Na-2H]-	296.99441	159.3
[M]+	276.01919	164.7
[M]-	276.02029	164.7

Literature stripe

literature stripe

Patent stripe

patents stripe