CID 64780203

1-(4-formylphenyl)-n,n-dimethyl-1h-pyrazole-3-carboxamide

Structural Information

Molecular Formula
C13H13N3O2
SMILES
CN(C)C(=O)C1=NN(C=C1)C2=CC=C(C=C2)C=O
InChI
InChI=1S/C13H13N3O2/c1-15(2)13(18)12-7-8-16(14-12)11-5-3-10(9-17)4-6-11/h3-9H,1-2H3
InChIKey
BJFLULQJPIGWED-UHFFFAOYSA-N
Compound name
1-(4-formylphenyl)-N,N-dimethylpyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.10077 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.10805 153.6
[M+Na]+ 266.08999 161.9
[M-H]- 242.09349 159.7
[M+NH4]+ 261.13459 170.4
[M+K]+ 282.06393 159.9
[M+H-H2O]+ 226.09803 144.8
[M+HCOO]- 288.09897 177.9
[M+CH3COO]- 302.11462 197.4
[M+Na-2H]- 264.07544 156.9
[M]+ 243.10022 156.2
[M]- 243.10132 156.2
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.