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-3-ethyl-1-methyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrazole-5-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]+ 334.168076 181.9
[M+Na]+ 356.150018 189.9
[M-H]- 332.153524 186.2
[M+NH4]+ 351.194623 196.0
[M+K]+ 372.123958 184.1
[M+H-H2O]+ 316.158060 173.4
[M+HCOO]- 378.159001 197.8
[M+CH3COO]- 392.174651 214.6
[M+Na-2H]- 354.135466 179.9
[M]+ 333.16025142 186.5
[M]- 333.16134858 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.