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
3
Annotation Hits

11
References

23411
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 170.0
[M+Na]+ 324.12062 180.4
[M+NH4]+ 319.16522 176.2
[M+K]+ 340.09456 178.4
[M-H]- 300.12412 173.8
[M+Na-2H]- 322.10607 174.9
[M]+ 301.13085 172.3
[M]- 301.13195 172.3
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