CID 693172

2-cyano-n-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl)acetamide

Structural Information

Molecular Formula
C14H14N4O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CC#N
InChI
InChI=1S/C14H14N4O2/c1-10-13(16-12(19)8-9-15)14(20)18(17(10)2)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,16,19)
InChIKey
VQWWWBVRTVXZKJ-UHFFFAOYSA-N
Compound name
2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.11166 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.11894 162.4
[M+Na]+ 293.10088 173.0
[M-H]- 269.10438 165.6
[M+NH4]+ 288.14548 175.8
[M+K]+ 309.07482 168.5
[M+H-H2O]+ 253.10892 146.9
[M+HCOO]- 315.10986 181.5
[M+CH3COO]- 329.12551 211.0
[M+Na-2H]- 291.08633 163.7
[M]+ 270.11111 158.9
[M]- 270.11221 158.9
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.