CID 25490813

N-{[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]methyl}benzamide

Structural Information

Molecular Formula
C11H10ClN3O2
SMILES
C1=CC=C(C=C1)C(=O)NCC2=NOC(=N2)CCl
InChI
InChI=1S/C11H10ClN3O2/c12-6-10-14-9(15-17-10)7-13-11(16)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,16)
InChIKey
VISWIRVPZSVLRW-UHFFFAOYSA-N
Compound name
N-[[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.04616 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.053436 153.6
[M+Na]+ 274.035378 162.1
[M-H]- 250.038884 158.3
[M+NH4]+ 269.079983 168.7
[M+K]+ 290.009318 158.9
[M+H-H2O]+ 234.043420 145.2
[M+HCOO]- 296.044361 172.0
[M+CH3COO]- 310.060011 191.4
[M+Na-2H]- 272.020826 159.2
[M]+ 251.04561142 157.0
[M]- 251.04670858 157.0
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.