CID 11588801

N-(2-chlorophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]oxy-acetamide

Structural Information

Molecular Formula
C18H18ClN5O2
SMILES
CC1=CC(=C(C(=C1)C)N2C(=NN=N2)OCC(=O)NC3=CC=CC=C3Cl)C
InChI
InChI=1S/C18H18ClN5O2/c1-11-8-12(2)17(13(3)9-11)24-18(21-22-23-24)26-10-16(25)20-15-7-5-4-6-14(15)19/h4-9H,10H2,1-3H3,(H,20,25)
InChIKey
QKOFLKDOJJZMFP-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]oxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.1149 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.12218 187.4
[M+Na]+ 394.10412 197.4
[M-H]- 370.10762 192.9
[M+NH4]+ 389.14872 196.7
[M+K]+ 410.07806 190.8
[M+H-H2O]+ 354.11216 176.1
[M+HCOO]- 416.11310 202.8
[M+CH3COO]- 430.12875 218.5
[M+Na-2H]- 392.08957 188.2
[M]+ 371.11435 192.7
[M]- 371.11545 192.7
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.