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]+ 281.068736 161.9
[M+Na]+ 303.050678 169.6
[M-H]- 279.054184 167.9
[M+NH4]+ 298.095283 177.3
[M+K]+ 319.024618 166.6
[M+H-H2O]+ 263.058720 154.2
[M+HCOO]- 325.059661 181.4
[M+CH3COO]- 339.075311 196.1
[M+Na-2H]- 301.036126 166.7
[M]+ 280.06091142 167.0
[M]- 280.06200858 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.