CID 100138

N-(p-hydroxyphenyl)-l-glutamine

Structural Information

Molecular Formula
C11H14N2O4
SMILES
C1=CC(=CC=C1NC(=O)CCC(C(=O)O)N)O
InChI
InChI=1S/C11H14N2O4/c12-9(11(16)17)5-6-10(15)13-7-1-3-8(14)4-2-7/h1-4,9,14H,5-6,12H2,(H,13,15)(H,16,17)
InChIKey
LOTUEIYQWILGCV-UHFFFAOYSA-N
Compound name
2-amino-5-(4-hydroxyanilino)-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

13
Patents

238.09535 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10263 153.4
[M+Na]+ 261.08457 160.3
[M+NH4]+ 256.12917 158.0
[M+K]+ 277.05851 158.1
[M-H]- 237.08807 152.6
[M+Na-2H]- 259.07002 155.7
[M]+ 238.09480 153.4
[M]- 238.09590 153.4
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