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]+ 353.24348 188.1
[M+Na]+ 375.22542 195.5
[M+NH4]+ 370.27002 192.8
[M+K]+ 391.19936 190.7
[M-H]- 351.22892 189.0
[M+Na-2H]- 373.21087 190.2
[M]+ 352.23565 189.0
[M]- 352.23675 189.0
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.