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

62
Patents

302.10553 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.112806 169.4
[M+Na]+ 325.094748 181.5
[M-H]- 301.098254 179.5
[M+NH4]+ 320.139353 183.2
[M+K]+ 341.068688 176.2
[M+H-H2O]+ 285.102790 159.6
[M+HCOO]- 347.103731 192.1
[M+CH3COO]- 361.119381 182.4
[M+Na-2H]- 323.080196 175.5
[M]+ 302.10498142 173.7
[M]- 302.10607858 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