CID 5272652

2-(3-phenylchroman-6-yl)-4,5-dihydrooxazole

Structural Information

Molecular Formula
C18H17NO2
SMILES
C1COC(=N1)C2=CC3=C(C=C2)OCC(C3)C4=CC=CC=C4
InChI
InChI=1S/C18H17NO2/c1-2-4-13(5-3-1)16-11-15-10-14(18-19-8-9-20-18)6-7-17(15)21-12-16/h1-7,10,16H,8-9,11-12H2
InChIKey
XCOYHTKMDCILAW-UHFFFAOYSA-N
Compound name
2-(3-phenyl-3,4-dihydro-2H-chromen-6-yl)-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

279.12592 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.13320 163.0
[M+Na]+ 302.11514 169.6
[M-H]- 278.11864 172.9
[M+NH4]+ 297.15974 177.0
[M+K]+ 318.08908 167.1
[M+H-H2O]+ 262.12318 154.2
[M+HCOO]- 324.12412 180.8
[M+CH3COO]- 338.13977 174.6
[M+Na-2H]- 300.10059 167.9
[M]+ 279.12537 161.3
[M]- 279.12647 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.