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]+ 341.149576 178.9
[M+Na]+ 363.131518 190.1
[M-H]- 339.135024 189.1
[M+NH4]+ 358.176123 191.2
[M+K]+ 379.105458 188.1
[M+H-H2O]+ 323.139560 170.9
[M+HCOO]- 385.140501 202.3
[M+CH3COO]- 399.156151 211.4
[M+Na-2H]- 361.116966 179.7
[M]+ 340.14175142 189.3
[M]- 340.14284858 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