CID 10086790

Schembl10506624

Structural Information

Molecular Formula
C19H21NO3
SMILES
CC1=NOC(=C1)CCCCCOC2=CC=C(C=C2)C3=CC=CO3
InChI
InChI=1S/C19H21NO3/c1-15-14-18(23-20-15)6-3-2-4-12-21-17-10-8-16(9-11-17)19-7-5-13-22-19/h5,7-11,13-14H,2-4,6,12H2,1H3
InChIKey
MVPKEUHOGSKRTG-UHFFFAOYSA-N
Compound name
5-[5-[4-(furan-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

311.15213 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.159406 172.3
[M+Na]+ 334.141348 180.7
[M-H]- 310.144854 182.6
[M+NH4]+ 329.185953 186.5
[M+K]+ 350.115288 178.9
[M+H-H2O]+ 294.149390 164.5
[M+HCOO]- 356.150331 196.7
[M+CH3COO]- 370.165981 185.1
[M+Na-2H]- 332.126796 175.4
[M]+ 311.15158142 180.2
[M]- 311.15267858 180.2
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

patents stripe