CID 6994993

Z-gln-gly-oh

Structural Information

Molecular Formula
C15H19N3O6
SMILES
C1=CC=C(C=C1)COC(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)O
InChI
InChI=1S/C15H19N3O6/c16-12(19)7-6-11(14(22)17-8-13(20)21)18-15(23)24-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,16,19)(H,17,22)(H,18,23)(H,20,21)/t11-/m0/s1
InChIKey
SOUXAAOTONMPRY-NSHDSACASA-N
Compound name
2-[[(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

717
Patents

337.12738 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.13466 176.8
[M+Na]+ 360.11660 177.8
[M-H]- 336.12010 177.4
[M+NH4]+ 355.16120 187.2
[M+K]+ 376.09054 177.5
[M+H-H2O]+ 320.12464 168.2
[M+HCOO]- 382.12558 197.3
[M+CH3COO]- 396.14123 213.9
[M+Na-2H]- 358.10205 175.5
[M]+ 337.12683 175.9
[M]- 337.12793 175.9
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