CID 354366

Nsc605904

Structural Information

Molecular Formula
C20H16O3
SMILES
CC(C)(C#C)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3
InChI
InChI=1S/C20H16O3/c1-4-20(2,3)23-15-10-11-16-18(12-15)22-13-17(19(16)21)14-8-6-5-7-9-14/h1,5-13H,2-3H3
InChIKey
PVXNOCURKTZGHZ-UHFFFAOYSA-N
Compound name
7-(2-methylbut-3-yn-2-yloxy)-3-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.10995 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.11723 176.9
[M+Na]+ 327.09917 188.9
[M-H]- 303.10267 182.6
[M+NH4]+ 322.14377 189.8
[M+K]+ 343.07311 181.9
[M+H-H2O]+ 287.10721 163.2
[M+HCOO]- 349.10815 191.6
[M+CH3COO]- 363.12380 211.0
[M+Na-2H]- 325.08462 182.0
[M]+ 304.10940 174.7
[M]- 304.11050 174.7
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

No patent data available for this compound.