CID 720861

2-(4-chloro-2-methylphenoxy)-n-(4h-1,2,4-triazol-3-yl)acetamide

Structural Information

Molecular Formula
C11H11ClN4O2
SMILES
CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=NC=NN2
InChI
InChI=1S/C11H11ClN4O2/c1-7-4-8(12)2-3-9(7)18-5-10(17)15-11-13-6-14-16-11/h2-4,6H,5H2,1H3,(H2,13,14,15,16,17)
InChIKey
MFXVPCCOHPNBJV-UHFFFAOYSA-N
Compound name
2-(4-chloro-2-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

266.05707 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.06435 156.7
[M+Na]+ 289.04629 169.0
[M+NH4]+ 284.09089 162.8
[M+K]+ 305.02023 165.1
[M-H]- 265.04979 157.8
[M+Na-2H]- 287.03174 163.2
[M]+ 266.05652 158.7
[M]- 266.05762 158.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.