CID 5271230

98033-66-0

Structural Information

Molecular Formula
C19H24N2O4
SMILES
CC1=NOC(=C1)CCCCCOC2=C(C=C(C=C2)C3=NCCO3)OC
InChI
InChI=1S/C19H24N2O4/c1-14-12-16(25-21-14)6-4-3-5-10-23-17-8-7-15(13-18(17)22-2)19-20-9-11-24-19/h7-8,12-13H,3-6,9-11H2,1-2H3
InChIKey
LHTJIZZSEWUYJO-UHFFFAOYSA-N
Compound name
5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methoxyphenoxy]pentyl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

344.1736 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.18088 180.9
[M+Na]+ 367.16282 187.9
[M-H]- 343.16632 189.4
[M+NH4]+ 362.20742 192.3
[M+K]+ 383.13676 186.9
[M+H-H2O]+ 327.17086 172.1
[M+HCOO]- 389.17180 201.3
[M+CH3COO]- 403.18745 210.2
[M+Na-2H]- 365.14827 181.3
[M]+ 344.17305 188.3
[M]- 344.17415 188.3
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