CID 3007736

Chembl167208

Structural Information

Molecular Formula
C19H23NO5
SMILES
CC1=CC=C(O1)C(=O)CCCCOC2=CC=C(C=C2)C(=O)NCCO
InChI
InChI=1S/C19H23NO5/c1-14-5-10-18(25-14)17(22)4-2-3-13-24-16-8-6-15(7-9-16)19(23)20-11-12-21/h5-10,21H,2-4,11-13H2,1H3,(H,20,23)
InChIKey
FESAPXZBROKAGI-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-4-[5-(5-methylfuran-2-yl)-5-oxopentoxy]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.15762 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.16490 183.4
[M+Na]+ 368.14684 187.7
[M-H]- 344.15034 189.0
[M+NH4]+ 363.19144 195.7
[M+K]+ 384.12078 185.7
[M+H-H2O]+ 328.15488 175.4
[M+HCOO]- 390.15582 204.8
[M+CH3COO]- 404.17147 211.6
[M+Na-2H]- 366.13229 183.5
[M]+ 345.15707 188.2
[M]- 345.15817 188.2
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

No patent data available for this compound.