CID 3080541

Brn 4756380

Structural Information

Molecular Formula
C16H23NO5
SMILES
CC1(OCCO1)C(CCO)C(=O)NCC2=CC=C(C=C2)OC
InChI
InChI=1S/C16H23NO5/c1-16(21-9-10-22-16)14(7-8-18)15(19)17-11-12-3-5-13(20-2)6-4-12/h3-6,14,18H,7-11H2,1-2H3,(H,17,19)
InChIKey
MFARLJMLVPHCDH-UHFFFAOYSA-N
Compound name
4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-(2-methyl-1,3-dioxolan-2-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.15762 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.164896 173.5
[M+Na]+ 332.146838 177.1
[M-H]- 308.150344 179.3
[M+NH4]+ 327.191443 187.7
[M+K]+ 348.120778 177.8
[M+H-H2O]+ 292.154880 167.0
[M+HCOO]- 354.155821 191.9
[M+CH3COO]- 368.171471 202.8
[M+Na-2H]- 330.132286 176.1
[M]+ 309.15707142 175.7
[M]- 309.15816858 175.7
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.