CID 6427128

N-propyl-n-[2-(2,4,6-trichlorophenoxy)ethyl]pyrazole-1-carboxamide

Structural Information

Molecular Formula
C15H16Cl3N3O2
SMILES
CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N2C=CC=N2
InChI
InChI=1S/C15H16Cl3N3O2/c1-2-5-20(15(22)21-6-3-4-19-21)7-8-23-14-12(17)9-11(16)10-13(14)18/h3-4,6,9-10H,2,5,7-8H2,1H3
InChIKey
IVCITWHJIOQNBI-UHFFFAOYSA-N
Compound name
N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]pyrazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.03082 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.03810 182.6
[M+Na]+ 398.02004 191.3
[M-H]- 374.02354 186.1
[M+NH4]+ 393.06464 195.6
[M+K]+ 413.99398 185.7
[M+H-H2O]+ 358.02808 174.4
[M+HCOO]- 420.02902 190.3
[M+CH3COO]- 434.04467 216.9
[M+Na-2H]- 396.00549 181.5
[M]+ 375.03027 189.8
[M]- 375.03137 189.8
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

No patent data available for this compound.