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 166.4
[M+Na]+ 311.06702 177.0
[M-H]- 287.07052 170.2
[M+NH4]+ 306.11162 180.3
[M+K]+ 327.04096 171.7
[M+H-H2O]+ 271.07506 150.8
[M+HCOO]- 333.07600 181.4
[M+CH3COO]- 347.09165 214.9
[M+Na-2H]- 309.05247 167.1
[M]+ 288.07725 164.8
[M]- 288.07835 164.8
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