CID 2747193

Maybridge3_007565

Structural Information

Molecular Formula
C17H21NO5
SMILES
CC(=O)NC(=CC1=C(C(=CC=C1)OC2CCCC2)OC)C(=O)O
InChI
InChI=1S/C17H21NO5/c1-11(19)18-14(17(20)21)10-12-6-5-9-15(16(12)22-2)23-13-7-3-4-8-13/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H,18,19)(H,20,21)
InChIKey
HXLHMIZTOIUOCA-UHFFFAOYSA-N
Compound name
2-acetamido-3-(3-cyclopentyloxy-2-methoxyphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

319.14197 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.149246 174.6
[M+Na]+ 342.131188 177.8
[M-H]- 318.134694 179.3
[M+NH4]+ 337.175793 189.1
[M+K]+ 358.105128 175.8
[M+H-H2O]+ 302.139230 167.4
[M+HCOO]- 364.140171 194.0
[M+CH3COO]- 378.155821 205.8
[M+Na-2H]- 340.116636 172.1
[M]+ 319.14142142 173.9
[M]- 319.14251858 173.9
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.