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]+ 310.16490 173.5
[M+Na]+ 332.14684 177.1
[M-H]- 308.15034 179.3
[M+NH4]+ 327.19144 187.7
[M+K]+ 348.12078 177.8
[M+H-H2O]+ 292.15488 167.0
[M+HCOO]- 354.15582 191.9
[M+CH3COO]- 368.17147 202.8
[M+Na-2H]- 330.13229 176.1
[M]+ 309.15707 175.7
[M]- 309.15817 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.