CID 13914680

96480-91-0

Structural Information

Molecular Formula
C15H21NO5
SMILES
CCCC(=O)NC1=CC(=C(C=C1)OCC(CO)O)C(=O)C
InChI
InChI=1S/C15H21NO5/c1-3-4-15(20)16-11-5-6-14(13(7-11)10(2)18)21-9-12(19)8-17/h5-7,12,17,19H,3-4,8-9H2,1-2H3,(H,16,20)
InChIKey
WTQWBNBPVIGMBS-UHFFFAOYSA-N
Compound name
N-[3-acetyl-4-(2,3-dihydroxypropoxy)phenyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.14197 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.14925 169.3
[M+Na]+ 318.13119 177.0
[M+NH4]+ 313.17579 173.4
[M+K]+ 334.10513 173.9
[M-H]- 294.13469 168.0
[M+Na-2H]- 316.11664 170.9
[M]+ 295.14142 169.4
[M]- 295.14252 169.4
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

No patent data available for this compound.