CID 1786

Win 52035

Structural Information

Molecular Formula
C18H22N2O3
SMILES
CC1=NOC(=C1)CCCCCOC2=CC=C(C=C2)C3=NCCO3
InChI
InChI=1S/C18H22N2O3/c1-14-13-17(23-20-14)5-3-2-4-11-21-16-8-6-15(7-9-16)18-19-10-12-22-18/h6-9,13H,2-5,10-12H2,1H3
InChIKey
IWZDYGHUSXWPPM-UHFFFAOYSA-N
Compound name
5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

13
Patents

314.16306 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.17034 173.4
[M+Na]+ 337.15228 180.1
[M-H]- 313.15578 181.6
[M+NH4]+ 332.19688 185.8
[M+K]+ 353.12622 178.7
[M+H-H2O]+ 297.16032 164.6
[M+HCOO]- 359.16126 194.0
[M+CH3COO]- 373.17691 204.0
[M+Na-2H]- 335.13773 174.8
[M]+ 314.16251 178.6
[M]- 314.16361 178.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe