CID 145913566

2377034-34-7

Structural Information

Molecular Formula
C13H13ClN2O3
SMILES
C1=CC=C(C=C1)COC(=O)NCC2=CC(=NO2)CCl
InChI
InChI=1S/C13H13ClN2O3/c14-7-11-6-12(19-16-11)8-15-13(17)18-9-10-4-2-1-3-5-10/h1-6H,7-9H2,(H,15,17)
InChIKey
DZOBGNUNIVODHM-UHFFFAOYSA-N
Compound name
benzyl N-[[3-(chloromethyl)-1,2-oxazol-5-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.06146 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.06874 161.5
[M+Na]+ 303.05068 173.9
[M+NH4]+ 298.09528 168.6
[M+K]+ 319.02462 169.3
[M-H]- 279.05418 165.4
[M+Na-2H]- 301.03613 168.2
[M]+ 280.06091 164.5
[M]- 280.06201 164.5
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.