CID 2440126

2-cyano-n-[3-methyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]acetamide

Structural Information

Molecular Formula
C14H14N4O
SMILES
CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)CC#N
InChI
InChI=1S/C14H14N4O/c1-10-3-5-12(6-4-10)18-13(9-11(2)17-18)16-14(19)7-8-15/h3-6,9H,7H2,1-2H3,(H,16,19)
InChIKey
OMUUIKXCAZSGPT-UHFFFAOYSA-N
Compound name
2-cyano-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

254.11676 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.124036 159.7
[M+Na]+ 277.105978 169.4
[M-H]- 253.109484 162.5
[M+NH4]+ 272.150583 173.5
[M+K]+ 293.079918 164.8
[M+H-H2O]+ 237.114020 143.9
[M+HCOO]- 299.114961 178.5
[M+CH3COO]- 313.130611 208.6
[M+Na-2H]- 275.091426 161.6
[M]+ 254.11621142 155.2
[M]- 254.11730858 155.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.