CID 6427128

Ivcitwhjioqnbi-uhfffaoysa-n

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]+ 376.038096 182.6
[M+Na]+ 398.020038 191.3
[M-H]- 374.023544 186.1
[M+NH4]+ 393.064643 195.6
[M+K]+ 413.993978 185.7
[M+H-H2O]+ 358.028080 174.4
[M+HCOO]- 420.029021 190.3
[M+CH3COO]- 434.044671 216.9
[M+Na-2H]- 396.005486 181.5
[M]+ 375.03027142 189.8
[M]- 375.03136858 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.