CID 203713

Brn 1589264

Structural Information

Molecular Formula
C13H18N3O3P
SMILES
CCOC1=CC=CC(=C1)C(=O)NP(=O)(N2CC2)N3CC3
InChI
InChI=1S/C13H18N3O3P/c1-2-19-12-5-3-4-11(10-12)13(17)14-20(18,15-6-7-15)16-8-9-16/h3-5,10H,2,6-9H2,1H3,(H,14,17,18)
InChIKey
CSAIMSUEQRUWLB-UHFFFAOYSA-N
Compound name
N-[bis(aziridin-1-yl)phosphoryl]-3-ethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.10858 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.11586 182.3
[M+Na]+ 318.09780 188.4
[M-H]- 294.10130 187.9
[M+NH4]+ 313.14240 184.6
[M+K]+ 334.07174 184.9
[M+H-H2O]+ 278.10584 172.8
[M+HCOO]- 340.10678 204.5
[M+CH3COO]- 354.12243 212.6
[M+Na-2H]- 316.08325 181.9
[M]+ 295.10803 187.2
[M]- 295.10913 187.2
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.