CID 215642

Brn 0428892

Structural Information

Molecular Formula
C13H22N5OP
SMILES
CCN(CC)C1=NC=CC(=C1)NP(=O)(N2CC2)N3CC3
InChI
InChI=1S/C13H22N5OP/c1-3-16(4-2)13-11-12(5-6-14-13)15-20(19,17-7-8-17)18-9-10-18/h5-6,11H,3-4,7-10H2,1-2H3,(H,14,15,19)
InChIKey
QBBMSIHGKYMQDU-UHFFFAOYSA-N
Compound name
4-N-[bis(aziridin-1-yl)phosphoryl]-2-N,2-N-diethylpyridine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1562 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16348 149.0
[M+Na]+ 318.14542 160.1
[M+NH4]+ 313.19002 155.4
[M+K]+ 334.11936 159.4
[M-H]- 294.14892 163.2
[M+Na-2H]- 316.13087 160.4
[M]+ 295.15565 156.3
[M]- 295.15675 156.3
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.