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]+ 255.12404 159.7
[M+Na]+ 277.10598 169.4
[M-H]- 253.10948 162.5
[M+NH4]+ 272.15058 173.5
[M+K]+ 293.07992 164.8
[M+H-H2O]+ 237.11402 143.9
[M+HCOO]- 299.11496 178.5
[M+CH3COO]- 313.13061 208.6
[M+Na-2H]- 275.09143 161.6
[M]+ 254.11621 155.2
[M]- 254.11731 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.