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

1
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

patents stripe