CID 5272635

2-(4-chroman-2-ylphenyl)-4,5-dihydrooxazole

Structural Information

Molecular Formula
C18H17NO2
SMILES
C1CC2=CC=CC=C2OC1C3=CC=C(C=C3)C4=NCCO4
InChI
InChI=1S/C18H17NO2/c1-2-4-16-13(3-1)9-10-17(21-16)14-5-7-15(8-6-14)18-19-11-12-20-18/h1-8,17H,9-12H2
InChIKey
XNZZRJINIQYCRX-UHFFFAOYSA-N
Compound name
2-[4-(3,4-dihydro-2H-chromen-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.12592 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.133196 163.0
[M+Na]+ 302.115138 169.6
[M-H]- 278.118644 172.9
[M+NH4]+ 297.159743 177.0
[M+K]+ 318.089078 167.1
[M+H-H2O]+ 262.123180 154.2
[M+HCOO]- 324.124121 180.8
[M+CH3COO]- 338.139771 174.6
[M+Na-2H]- 300.100586 167.9
[M]+ 279.12537142 161.3
[M]- 279.12646858 161.3
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.