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 156.2
[M+Na]+ 289.04629 165.1
[M-H]- 265.04979 159.0
[M+NH4]+ 284.09089 170.5
[M+K]+ 305.02023 161.1
[M+H-H2O]+ 249.05433 147.3
[M+HCOO]- 311.05527 172.7
[M+CH3COO]- 325.07092 196.4
[M+Na-2H]- 287.03174 158.5
[M]+ 266.05652 158.4
[M]- 266.05762 158.4
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