CID 3078481

1-(2-furylcarbonyl)-5-phenyl-2-pyrazoline

Structural Information

Molecular Formula
C14H12N2O2
SMILES
C1C=NN(C1C2=CC=CC=C2)C(=O)C3=CC=CO3
InChI
InChI=1S/C14H12N2O2/c17-14(13-7-4-10-18-13)16-12(8-9-15-16)11-5-2-1-3-6-11/h1-7,9-10,12H,8H2
InChIKey
ADDVAAPVTQYGAM-UHFFFAOYSA-N
Compound name
furan-2-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

240.08987 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09715 151.8
[M+Na]+ 263.07909 159.5
[M-H]- 239.08259 160.1
[M+NH4]+ 258.12369 168.3
[M+K]+ 279.05303 157.6
[M+H-H2O]+ 223.08713 143.5
[M+HCOO]- 285.08807 173.9
[M+CH3COO]- 299.10372 164.7
[M+Na-2H]- 261.06454 154.4
[M]+ 240.08932 152.0
[M]- 240.09042 152.0
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