CID 3078481

121306-84-1

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

25
Patents

240.08987 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.097146 151.8
[M+Na]+ 263.079088 159.5
[M-H]- 239.082594 160.1
[M+NH4]+ 258.123693 168.3
[M+K]+ 279.053028 157.6
[M+H-H2O]+ 223.087130 143.5
[M+HCOO]- 285.088071 173.9
[M+CH3COO]- 299.103721 164.7
[M+Na-2H]- 261.064536 154.4
[M]+ 240.08932142 152.0
[M]- 240.09041858 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