CID 44144978

L-homoserine, o-(3,5-dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenyl)-, hydrochloride

Structural Information

Molecular Formula
C20H23NO8
SMILES
COC1=C(C=C(C=C1)CCC(=O)C2=C(C=C(C=C2O)OCC[C@@H](C(=O)O)N)O)O
InChI
InChI=1S/C20H23NO8/c1-28-18-5-3-11(8-15(18)23)2-4-14(22)19-16(24)9-12(10-17(19)25)29-7-6-13(21)20(26)27/h3,5,8-10,13,23-25H,2,4,6-7,21H2,1H3,(H,26,27)/t13-/m0/s1
InChIKey
KNAZGTPISIKSHU-ZDUSSCGKSA-N
Compound name
(2S)-2-amino-4-[3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenoxy]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.14236 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.14964 192.2
[M+Na]+ 428.13158 196.2
[M-H]- 404.13508 193.2
[M+NH4]+ 423.17618 199.2
[M+K]+ 444.10552 194.1
[M+H-H2O]+ 388.13962 183.8
[M+HCOO]- 450.14056 207.5
[M+CH3COO]- 464.15621 220.7
[M+Na-2H]- 426.11703 188.2
[M]+ 405.14181 194.4
[M]- 405.14291 194.4
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.