CID 3042862

Slb-862

Structural Information

Molecular Formula
C18H30N2O4
SMILES
CCN(CC)CCOC1=C(C=C(C=C1)C[C@@H](C(=O)OCC)N)OC
InChI
InChI=1S/C18H30N2O4/c1-5-20(6-2)10-11-24-16-9-8-14(13-17(16)22-4)12-15(19)18(21)23-7-3/h8-9,13,15H,5-7,10-12,19H2,1-4H3/t15-/m0/s1
InChIKey
YRUQQXDDMSUKAS-HNNXBMFYSA-N
Compound name
ethyl (2S)-2-amino-3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.22055 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.22783 183.8
[M+Na]+ 361.20977 191.3
[M+NH4]+ 356.25437 188.6
[M+K]+ 377.18371 186.7
[M-H]- 337.21327 184.7
[M+Na-2H]- 359.19522 186.1
[M]+ 338.22000 184.6
[M]- 338.22110 184.6
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.