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]+ 266.10231 158.2
[M+Na]+ 288.08425 164.8
[M-H]- 264.08775 160.8
[M+NH4]+ 283.12885 171.7
[M+K]+ 304.05819 163.1
[M+H-H2O]+ 248.09229 151.6
[M+HCOO]- 310.09323 174.7
[M+CH3COO]- 324.10888 189.7
[M+Na-2H]- 286.06970 158.4
[M]+ 265.09448 158.3
[M]- 265.09558 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.