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 188.9
[M+Na]+ 318.14542 194.5
[M-H]- 294.14892 194.3
[M+NH4]+ 313.19002 190.4
[M+K]+ 334.11936 190.7
[M+H-H2O]+ 278.15346 178.3
[M+HCOO]- 340.15440 211.8
[M+CH3COO]- 354.17005 218.9
[M+Na-2H]- 316.13087 188.6
[M]+ 295.15565 193.1
[M]- 295.15675 193.1
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.