CID 5272156

98033-84-2

Structural Information

Molecular Formula
C19H24N2O3
SMILES
CC1=NOC(=C1)CCCCCCOC2=CC=C(C=C2)C3=NCCO3
InChI
InChI=1S/C19H24N2O3/c1-15-14-18(24-21-15)6-4-2-3-5-12-22-17-9-7-16(8-10-17)19-20-11-13-23-19/h7-10,14H,2-6,11-13H2,1H3
InChIKey
QWXLVONYEIQPAS-UHFFFAOYSA-N
Compound name
5-[6-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]hexyl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

6
Patents

328.17868 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.18596 178.0
[M+Na]+ 351.16790 184.2
[M-H]- 327.17140 185.9
[M+NH4]+ 346.21250 189.7
[M+K]+ 367.14184 182.6
[M+H-H2O]+ 311.17594 169.0
[M+HCOO]- 373.17688 198.2
[M+CH3COO]- 387.19253 206.9
[M+Na-2H]- 349.15335 178.8
[M]+ 328.17813 183.5
[M]- 328.17923 183.5
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