CID 163822

110608-00-9

Structural Information

Molecular Formula
C11H11ClN4O2
SMILES
CC(C(=O)N)OC1=NN(C=N1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C11H11ClN4O2/c1-7(10(13)17)18-11-14-6-16(15-11)9-4-2-3-8(12)5-9/h2-7H,1H3,(H2,13,17)
InChIKey
VOGUXCQBDVMUAF-UHFFFAOYSA-N
Compound name
2-[[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]oxy]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

266.05707 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.06435 155.8
[M+Na]+ 289.04629 167.9
[M+NH4]+ 284.09089 162.0
[M+K]+ 305.02023 164.9
[M-H]- 265.04979 157.0
[M+Na-2H]- 287.03174 162.2
[M]+ 266.05652 157.8
[M]- 266.05762 157.8
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

patents stripe