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

3
Patents

311.15213 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15941 172.3
[M+Na]+ 334.14135 180.7
[M-H]- 310.14485 182.6
[M+NH4]+ 329.18595 186.5
[M+K]+ 350.11529 178.9
[M+H-H2O]+ 294.14939 164.5
[M+HCOO]- 356.15033 196.7
[M+CH3COO]- 370.16598 185.1
[M+Na-2H]- 332.12680 175.4
[M]+ 311.15158 180.2
[M]- 311.15268 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