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 189.8
[M+Na]+ 375.22542 192.6
[M-H]- 351.22892 193.0
[M+NH4]+ 370.27002 202.6
[M+K]+ 391.19936 192.1
[M+H-H2O]+ 335.23346 181.0
[M+HCOO]- 397.23440 211.9
[M+CH3COO]- 411.25005 224.8
[M+Na-2H]- 373.21087 187.6
[M]+ 352.23565 196.4
[M]- 352.23675 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.