CID 39869358

3-chloro-n-(3,5-dimethyl-1-phenyl-1h-pyrazol-4-yl)propanamide

Structural Information

Molecular Formula
C14H16ClN3O
SMILES
CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CCCl
InChI
InChI=1S/C14H16ClN3O/c1-10-14(16-13(19)8-9-15)11(2)18(17-10)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,19)
InChIKey
ZAJNVQNGNKNLLT-UHFFFAOYSA-N
Compound name
3-chloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.09818 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.10546 163.9
[M+Na]+ 300.08740 173.0
[M-H]- 276.09090 168.3
[M+NH4]+ 295.13200 180.0
[M+K]+ 316.06134 167.6
[M+H-H2O]+ 260.09544 155.6
[M+HCOO]- 322.09638 182.1
[M+CH3COO]- 336.11203 200.6
[M+Na-2H]- 298.07285 165.8
[M]+ 277.09763 167.2
[M]- 277.09873 167.2
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.