CID 5271236

105639-16-5

Structural Information

Molecular Formula
C19H22N2O5
SMILES
CC1=NOC(=C1)CCCCCOC2=C(C=C(C=C2)C3=NCCO3)C(=O)O
InChI
InChI=1S/C19H22N2O5/c1-13-11-15(26-21-13)5-3-2-4-9-24-17-7-6-14(12-16(17)19(22)23)18-20-8-10-25-18/h6-7,11-12H,2-5,8-10H2,1H3,(H,22,23)
InChIKey
KWADUSKGDDXVGN-UHFFFAOYSA-N
Compound name
5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

358.15286 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.16014 183.3
[M+Na]+ 381.14208 189.5
[M-H]- 357.14558 190.7
[M+NH4]+ 376.18668 193.1
[M+K]+ 397.11602 188.3
[M+H-H2O]+ 341.15012 174.9
[M+HCOO]- 403.15106 201.6
[M+CH3COO]- 417.16671 210.2
[M+Na-2H]- 379.12753 182.4
[M]+ 358.15231 189.0
[M]- 358.15341 189.0
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