CID 360430

Nsc622566

Structural Information

Molecular Formula
C17H14N4O3
SMILES
C1=CC=C(C=C1)NC(=O)C(=O)C2C(=NN(C2=O)C3=CC=CC=C3)N
InChI
InChI=1S/C17H14N4O3/c18-15-13(14(22)16(23)19-11-7-3-1-4-8-11)17(24)21(20-15)12-9-5-2-6-10-12/h1-10,13H,(H2,18,20)(H,19,23)
InChIKey
OMYKKPFHAQECTN-UHFFFAOYSA-N
Compound name
2-(3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-oxo-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

322.1066 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.11388 172.8
[M+Na]+ 345.09582 179.0
[M-H]- 321.09932 180.1
[M+NH4]+ 340.14042 184.4
[M+K]+ 361.06976 174.7
[M+H-H2O]+ 305.10386 162.7
[M+HCOO]- 367.10480 194.8
[M+CH3COO]- 381.12045 210.6
[M+Na-2H]- 343.08127 174.0
[M]+ 322.10605 170.4
[M]- 322.10715 170.4
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

patents stripe