CID 162851

(3,4-dihydroxyphenyl)-l-glutamine

Structural Information

Molecular Formula
C11H14N2O5
SMILES
C1=CC(=C(C=C1N[C@@H](CCC(=O)N)C(=O)O)O)O
InChI
InChI=1S/C11H14N2O5/c12-10(16)4-2-7(11(17)18)13-6-1-3-8(14)9(15)5-6/h1,3,5,7,13-15H,2,4H2,(H2,12,16)(H,17,18)/t7-/m0/s1
InChIKey
SGMDQKBASJSDDV-ZETCQYMHSA-N
Compound name
(2S)-5-amino-2-(3,4-dihydroxyanilino)-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

254.09027 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.097546 155.0
[M+Na]+ 277.079488 159.6
[M-H]- 253.082994 154.1
[M+NH4]+ 272.124093 168.6
[M+K]+ 293.053428 157.7
[M+H-H2O]+ 237.087530 148.4
[M+HCOO]- 299.088471 174.1
[M+CH3COO]- 313.104121 194.0
[M+Na-2H]- 275.064936 155.1
[M]+ 254.08972142 152.0
[M]- 254.09081858 152.0
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

patents stripe