CID 47002122

2-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)C(C)Cl
InChI
InChI=1S/C14H16ClN3O/c1-9(15)14(19)16-13-10(2)17-18(11(13)3)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,16,19)
InChIKey
JITVRYVZPHFBDV-UHFFFAOYSA-N
Compound name
2-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

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.105456 163.6
[M+Na]+ 300.087398 172.5
[M-H]- 276.090904 168.2
[M+NH4]+ 295.132003 179.7
[M+K]+ 316.061338 167.6
[M+H-H2O]+ 260.095440 155.7
[M+HCOO]- 322.096381 181.0
[M+CH3COO]- 336.112031 201.5
[M+Na-2H]- 298.072846 164.5
[M]+ 277.09763142 166.5
[M]- 277.09872858 166.5
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.