CID 163673

98476-37-0

Structural Information

Molecular Formula
C14H13ClN4O
SMILES
CCN(C)C(=O)C1=C(N(N=C1)C2=CC=C(C=C2)Cl)C#N
InChI
InChI=1S/C14H13ClN4O/c1-3-18(2)14(20)12-9-17-19(13(12)8-16)11-6-4-10(15)5-7-11/h4-7,9H,3H2,1-2H3
InChIKey
WEJNSLUSHSZSSA-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-5-cyano-N-ethyl-N-methylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

288.0778 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.08508 163.4
[M+Na]+ 311.06702 175.9
[M+NH4]+ 306.11162 167.2
[M+K]+ 327.04096 168.0
[M-H]- 287.07052 158.9
[M+Na-2H]- 309.05247 167.7
[M]+ 288.07725 163.2
[M]- 288.07835 163.2
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

patents stripe