CID 3042864

Slb-887

Structural Information

Molecular Formula
C19H32N2O4
SMILES
CCN(CC)CCOC1=C(C=C(C=C1)C[C@@H](C(=O)OCC)N)OCC
InChI
InChI=1S/C19H32N2O4/c1-5-21(6-2)11-12-25-17-10-9-15(14-18(17)23-7-3)13-16(20)19(22)24-8-4/h9-10,14,16H,5-8,11-13,20H2,1-4H3/t16-/m0/s1
InChIKey
VXABZSDZRHOOIX-INIZCTEOSA-N
Compound name
ethyl (2S)-2-amino-3-[4-[2-(diethylamino)ethoxy]-3-ethoxyphenyl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.2362 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.243476 189.8
[M+Na]+ 375.225418 192.6
[M-H]- 351.228924 193.0
[M+NH4]+ 370.270023 202.6
[M+K]+ 391.199358 192.1
[M+H-H2O]+ 335.233460 181.0
[M+HCOO]- 397.234401 211.9
[M+CH3COO]- 411.250051 224.8
[M+Na-2H]- 373.210866 187.6
[M]+ 352.23565142 196.4
[M]- 352.23674858 196.4
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.