CID 42504

Furalaxyl

Structural Information

Molecular Formula
C17H19NO4
SMILES
CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)C2=CC=CO2
InChI
InChI=1S/C17H19NO4/c1-11-7-5-8-12(2)15(11)18(13(3)17(20)21-4)16(19)14-9-6-10-22-14/h5-10,13H,1-4H3
InChIKey
CIEXPHRYOLIQQD-UHFFFAOYSA-N
Compound name
methyl 2-[N-(furan-2-carbonyl)-2,6-dimethylanilino]propanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

11
References

25478
Patents

301.1314 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.13868 171.4
[M+Na]+ 324.12062 177.4
[M-H]- 300.12412 180.5
[M+NH4]+ 319.16522 187.1
[M+K]+ 340.09456 178.0
[M+H-H2O]+ 284.12866 164.1
[M+HCOO]- 346.12960 194.4
[M+CH3COO]- 360.14525 209.5
[M+Na-2H]- 322.10607 171.0
[M]+ 301.13085 176.6
[M]- 301.13195 176.6
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