CID 203714

Brn 1593149

Structural Information

Molecular Formula
C14H18N3O3P
SMILES
C=CCOC1=CC=CC(=C1)C(=O)NP(=O)(N2CC2)N3CC3
InChI
InChI=1S/C14H18N3O3P/c1-2-10-20-13-5-3-4-12(11-13)14(18)15-21(19,16-6-7-16)17-8-9-17/h2-5,11H,1,6-10H2,(H,15,18,19)
InChIKey
JEGFECOVBSAMGG-UHFFFAOYSA-N
Compound name
N-[bis(aziridin-1-yl)phosphoryl]-3-prop-2-enoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.10858 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.11586 152.3
[M+Na]+ 330.09780 163.3
[M+NH4]+ 325.14240 158.1
[M+K]+ 346.07174 162.8
[M-H]- 306.10130 165.6
[M+Na-2H]- 328.08325 162.7
[M]+ 307.10803 159.3
[M]- 307.10913 159.3
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.