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 185.2
[M+Na]+ 361.20977 188.4
[M-H]- 337.21327 188.7
[M+NH4]+ 356.25437 198.6
[M+K]+ 377.18371 188.2
[M+H-H2O]+ 321.21781 176.6
[M+HCOO]- 383.21875 207.7
[M+CH3COO]- 397.23440 221.8
[M+Na-2H]- 359.19522 183.6
[M]+ 338.22000 191.5
[M]- 338.22110 191.5
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.