CID 15954765

Schembl10507786

Structural Information

Molecular Formula
C22H27NO3
SMILES
CC1=CC=C(O1)C2=CC(=C(C(=C2)C)OCCCCCC3=CC(=NO3)C)C
InChI
InChI=1S/C22H27NO3/c1-15-12-19(21-10-9-18(4)25-21)13-16(2)22(15)24-11-7-5-6-8-20-14-17(3)23-26-20/h9-10,12-14H,5-8,11H2,1-4H3
InChIKey
AHOXYLYAXFQUFX-UHFFFAOYSA-N
Compound name
5-[5-[2,6-dimethyl-4-(5-methylfuran-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

353.1991 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.20638 186.8
[M+Na]+ 376.18832 196.6
[M-H]- 352.19182 197.8
[M+NH4]+ 371.23292 200.2
[M+K]+ 392.16226 194.1
[M+H-H2O]+ 336.19636 179.3
[M+HCOO]- 398.19730 210.2
[M+CH3COO]- 412.21295 216.1
[M+Na-2H]- 374.17377 186.2
[M]+ 353.19855 197.1
[M]- 353.19965 197.1
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