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]+ 326.18630 178.9
[M+Na]+ 348.16824 182.8
[M-H]- 324.17174 186.5
[M+NH4]+ 343.21284 191.6
[M+K]+ 364.14218 179.3
[M+H-H2O]+ 308.17628 168.3
[M+HCOO]- 370.17722 198.1
[M+CH3COO]- 384.19287 211.0
[M+Na-2H]- 346.15369 178.3
[M]+ 325.17847 176.5
[M]- 325.17957 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.