CID 3042868

Slb-886

Structural Information

Molecular Formula
C20H32N2O4
SMILES
CCOC1=C(C=CC(=C1)C[C@@H](C(=O)OCC)N)OCCCN2CCCC2
InChI
InChI=1S/C20H32N2O4/c1-3-24-19-15-16(14-17(21)20(23)25-4-2)8-9-18(19)26-13-7-12-22-10-5-6-11-22/h8-9,15,17H,3-7,10-14,21H2,1-2H3/t17-/m0/s1
InChIKey
YBMQTKHUMQARFG-KRWDZBQOSA-N
Compound name
ethyl (2S)-2-amino-3-[3-ethoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.2362 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.24348 191.2
[M+Na]+ 387.22542 198.2
[M+NH4]+ 382.27002 196.0
[M+K]+ 403.19936 194.9
[M-H]- 363.22892 192.3
[M+Na-2H]- 385.21087 193.3
[M]+ 364.23565 192.0
[M]- 364.23675 192.0
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.