CID 3041385

1,3,4-oxadiazole-2-methanol, 5-(4-chlorophenyl)-, methylcarbamate (ester)

Structural Information

Molecular Formula
C11H10ClN3O3
SMILES
CNC(=O)OCC1=NN=C(O1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H10ClN3O3/c1-13-11(16)17-6-9-14-15-10(18-9)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H,13,16)
InChIKey
MDYBCAVFYATQDZ-UHFFFAOYSA-N
Compound name
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.04108 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.048356 156.5
[M+Na]+ 290.030298 165.9
[M-H]- 266.033804 161.8
[M+NH4]+ 285.074903 171.3
[M+K]+ 306.004238 163.3
[M+H-H2O]+ 250.038340 148.4
[M+HCOO]- 312.039281 175.3
[M+CH3COO]- 326.054931 194.1
[M+Na-2H]- 288.015746 161.5
[M]+ 267.04053142 161.7
[M]- 267.04162858 161.7
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.