CID 206768

Pyrazole, 5-amino-3-anilino-1-phenyl-, diacetyl deriv.

Structural Information

Molecular Formula
C19H18N4O2
SMILES
CC(=O)C1=C(N(N=C1NC2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C
InChI
InChI=1S/C19H18N4O2/c1-13(24)17-18(21-15-9-5-3-6-10-15)22-23(19(17)20-14(2)25)16-11-7-4-8-12-16/h3-12H,1-2H3,(H,20,25)(H,21,22)
InChIKey
SYKAJLSEEJKSSW-UHFFFAOYSA-N
Compound name
N-(4-acetyl-5-anilino-2-phenylpyrazol-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.14297 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.15025 178.5
[M+Na]+ 357.13219 184.8
[M-H]- 333.13569 186.3
[M+NH4]+ 352.17679 190.1
[M+K]+ 373.10613 180.0
[M+H-H2O]+ 317.14023 168.1
[M+HCOO]- 379.14117 201.5
[M+CH3COO]- 393.15682 215.2
[M+Na-2H]- 355.11764 180.6
[M]+ 334.14242 178.5
[M]- 334.14352 178.5
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

No patent data available for this compound.