CID 755601

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)furan-2-carboxamide

Structural Information

Molecular Formula
C16H15N3O3
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=CO3
InChI
InChI=1S/C16H15N3O3/c1-11-14(17-15(20)13-9-6-10-22-13)16(21)19(18(11)2)12-7-4-3-5-8-12/h3-10H,1-2H3,(H,17,20)
InChIKey
IAHMZITZHFBRBT-UHFFFAOYSA-N
Compound name
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

297.11133 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11861 165.9
[M+Na]+ 320.10055 176.5
[M-H]- 296.10405 175.8
[M+NH4]+ 315.14515 180.6
[M+K]+ 336.07449 173.5
[M+H-H2O]+ 280.10859 157.5
[M+HCOO]- 342.10953 191.4
[M+CH3COO]- 356.12518 203.6
[M+Na-2H]- 318.08600 167.9
[M]+ 297.11078 170.9
[M]- 297.11188 170.9
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.