CID 145994625

Leptazoline c

Structural Information

Molecular Formula
C13H15NO5
SMILES
C[C@H]1[C@@H](N=C(O1)C2=CC=CC=C2O)[C@@H](CC(=O)O)O
InChI
InChI=1S/C13H15NO5/c1-7-12(10(16)6-11(17)18)14-13(19-7)8-4-2-3-5-9(8)15/h2-5,7,10,12,15-16H,6H2,1H3,(H,17,18)/t7-,10+,12+/m0/s1
InChIKey
HYNVCGWXNJDHLB-HNBZJPLGSA-N
Compound name
(3R)-3-hydroxy-3-[(4S,5S)-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.09503 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.102306 158.2
[M+Na]+ 288.084248 164.8
[M-H]- 264.087754 160.8
[M+NH4]+ 283.128853 171.7
[M+K]+ 304.058188 163.1
[M+H-H2O]+ 248.092290 151.6
[M+HCOO]- 310.093231 174.7
[M+CH3COO]- 324.108881 189.7
[M+Na-2H]- 286.069696 158.4
[M]+ 265.09448142 158.3
[M]- 265.09557858 158.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.