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

6
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.