CID 80122

2h-1-benzopyran-2-one, 7-(3-methyl-1h-pyrazol-1-yl)-3-phenyl-

Structural Information

Molecular Formula
C19H14N2O2
SMILES
CC1=NN(C=C1)C2=CC3=C(C=C2)C=C(C(=O)O3)C4=CC=CC=C4
InChI
InChI=1S/C19H14N2O2/c1-13-9-10-21(20-13)16-8-7-15-11-17(14-5-3-2-4-6-14)19(22)23-18(15)12-16/h2-12H,1H3
InChIKey
HATLMHBLUAELGS-UHFFFAOYSA-N
Compound name
7-(3-methylpyrazol-1-yl)-3-phenylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

37
Patents

302.10553 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.11281 169.4
[M+Na]+ 325.09475 181.5
[M-H]- 301.09825 179.5
[M+NH4]+ 320.13935 183.2
[M+K]+ 341.06869 176.2
[M+H-H2O]+ 285.10279 159.6
[M+HCOO]- 347.10373 192.1
[M+CH3COO]- 361.11938 182.4
[M+Na-2H]- 323.08020 175.5
[M]+ 302.10498 173.7
[M]- 302.10608 173.7
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