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]+ 278.105456 163.9
[M+Na]+ 300.087398 173.0
[M-H]- 276.090904 168.3
[M+NH4]+ 295.132003 180.0
[M+K]+ 316.061338 167.6
[M+H-H2O]+ 260.095440 155.6
[M+HCOO]- 322.096381 182.1
[M+CH3COO]- 336.112031 200.6
[M+Na-2H]- 298.072846 165.8
[M]+ 277.09763142 167.2
[M]- 277.09872858 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.