CID 161917

Brn 0699240

Structural Information

Molecular Formula
C19H23N3O2
SMILES
CC1=CC(=NN1C(=NC2CCCCC2)C3=CC=CC=C3)C(=O)OC
InChI
InChI=1S/C19H23N3O2/c1-14-13-17(19(23)24-2)21-22(14)18(15-9-5-3-6-10-15)20-16-11-7-4-8-12-16/h3,5-6,9-10,13,16H,4,7-8,11-12H2,1-2H3
InChIKey
CJQCJCJZHMQPPV-UHFFFAOYSA-N
Compound name
methyl 1-(N-cyclohexyl-C-phenylcarbonimidoyl)-5-methylpyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

325.17902 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.186296 178.9
[M+Na]+ 348.168238 182.8
[M-H]- 324.171744 186.5
[M+NH4]+ 343.212843 191.6
[M+K]+ 364.142178 179.3
[M+H-H2O]+ 308.176280 168.3
[M+HCOO]- 370.177221 198.1
[M+CH3COO]- 384.192871 211.0
[M+Na-2H]- 346.153686 178.3
[M]+ 325.17847142 176.5
[M]- 325.17956858 176.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.