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 161.9
[M+Na]+ 303.05068 169.6
[M-H]- 279.05418 167.9
[M+NH4]+ 298.09528 177.3
[M+K]+ 319.02462 166.6
[M+H-H2O]+ 263.05872 154.2
[M+HCOO]- 325.05966 181.4
[M+CH3COO]- 339.07531 196.1
[M+Na-2H]- 301.03613 166.7
[M]+ 280.06091 167.0
[M]- 280.06201 167.0
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.