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-3-anilino-1-phenylpyrazol-5-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]+ 335.150246 178.5
[M+Na]+ 357.132188 184.8
[M-H]- 333.135694 186.3
[M+NH4]+ 352.176793 190.1
[M+K]+ 373.106128 180.0
[M+H-H2O]+ 317.140230 168.1
[M+HCOO]- 379.141171 201.5
[M+CH3COO]- 393.156821 215.2
[M+Na-2H]- 355.117636 180.6
[M]+ 334.14242142 178.5
[M]- 334.14351858 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.