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 185.5
[M+Na]+ 330.09780 191.4
[M-H]- 306.10130 190.9
[M+NH4]+ 325.14240 187.2
[M+K]+ 346.07174 187.2
[M+H-H2O]+ 290.10584 175.8
[M+HCOO]- 352.10678 207.5
[M+CH3COO]- 366.12243 214.3
[M+Na-2H]- 328.08325 184.5
[M]+ 307.10803 190.1
[M]- 307.10913 190.1
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.