CID 183912

N-propan-2-yl-n-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide

Structural Information

Molecular Formula
C15H16Cl3N3O2
SMILES
CC(C)N(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N2C=CN=C2
InChI
InChI=1S/C15H16Cl3N3O2/c1-10(2)21(15(22)20-4-3-19-9-20)5-6-23-14-12(17)7-11(16)8-13(14)18/h3-4,7-10H,5-6H2,1-2H3
InChIKey
XJABPYGRRIVUOG-UHFFFAOYSA-N
Compound name
N-propan-2-yl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.03082 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.038096 181.5
[M+Na]+ 398.020038 190.0
[M-H]- 374.023544 185.3
[M+NH4]+ 393.064643 194.6
[M+K]+ 413.993978 184.9
[M+H-H2O]+ 358.028080 173.7
[M+HCOO]- 420.029021 188.5
[M+CH3COO]- 434.044671 217.8
[M+Na-2H]- 396.005486 179.6
[M]+ 375.03027142 188.3
[M]- 375.03136858 188.3
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.