CID 14460832

119168-48-8

Structural Information

Molecular Formula
C18H24ClN3O
SMILES
CCC1=NN(C(=C1Cl)C(=O)NCC2=CC=C(C=C2)CC(C)C)C
InChI
InChI=1S/C18H24ClN3O/c1-5-15-16(19)17(22(4)21-15)18(23)20-11-14-8-6-13(7-9-14)10-12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,20,23)
InChIKey
CLKLRWGDAMVIDF-UHFFFAOYSA-N
Compound name
4-chloro-5-ethyl-2-methyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.1608 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.16808 181.9
[M+Na]+ 356.15002 189.9
[M-H]- 332.15352 186.2
[M+NH4]+ 351.19462 196.0
[M+K]+ 372.12396 184.1
[M+H-H2O]+ 316.15806 173.4
[M+HCOO]- 378.15900 197.8
[M+CH3COO]- 392.17465 214.6
[M+Na-2H]- 354.13547 179.9
[M]+ 333.16025 186.5
[M]- 333.16135 186.5
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.