CID 5272637

2-[4-[6-(4,5-dihydrooxazol-2-yl)chroman-2-yl]phenyl]-4,5-dihydrooxazole

Structural Information

Molecular Formula
C21H20N2O3
SMILES
C1CC2=C(C=CC(=C2)C3=NCCO3)OC1C4=CC=C(C=C4)C5=NCCO5
InChI
InChI=1S/C21H20N2O3/c1-3-15(20-22-9-11-24-20)4-2-14(1)18-7-5-16-13-17(6-8-19(16)26-18)21-23-10-12-25-21/h1-4,6,8,13,18H,5,7,9-12H2
InChIKey
SCBSIIIDKDYLPF-UHFFFAOYSA-N
Compound name
2-[4-[6-(4,5-dihydro-1,3-oxazol-2-yl)-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

348.1474 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.15468 179.1
[M+Na]+ 371.13662 185.4
[M-H]- 347.14012 191.5
[M+NH4]+ 366.18122 189.0
[M+K]+ 387.11056 183.7
[M+H-H2O]+ 331.14466 170.2
[M+HCOO]- 393.14560 194.3
[M+CH3COO]- 407.16125 189.5
[M+Na-2H]- 369.12207 179.4
[M]+ 348.14685 178.2
[M]- 348.14795 178.2
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.