CID 15954635

Schembl8824446

Structural Information

Molecular Formula
C19H20N2O4
SMILES
CC1=CC(=CC(=C1OCCCC2=CC=C(O2)C=O)C)C3=NOC(=N3)C
InChI
InChI=1S/C19H20N2O4/c1-12-9-15(19-20-14(3)25-21-19)10-13(2)18(12)23-8-4-5-16-6-7-17(11-22)24-16/h6-7,9-11H,4-5,8H2,1-3H3
InChIKey
FBASFHRZAWVYQU-UHFFFAOYSA-N
Compound name
5-[3-[2,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]furan-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

340.1423 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.14958 178.9
[M+Na]+ 363.13152 190.1
[M-H]- 339.13502 189.1
[M+NH4]+ 358.17612 191.2
[M+K]+ 379.10546 188.1
[M+H-H2O]+ 323.13956 170.9
[M+HCOO]- 385.14050 202.3
[M+CH3COO]- 399.15615 211.4
[M+Na-2H]- 361.11697 179.7
[M]+ 340.14175 189.3
[M]- 340.14285 189.3
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

patents stripe