CID 147253

Glutathione monoethyl ester

Structural Information

Molecular Formula
C12H21N3O6S
SMILES
CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N
InChI
InChI=1S/C12H21N3O6S/c1-2-21-10(17)5-14-11(18)8(6-22)15-9(16)4-3-7(13)12(19)20/h7-8,22H,2-6,13H2,1H3,(H,14,18)(H,15,16)(H,19,20)/t7-,8-/m0/s1
InChIKey
JKRODHBGNBKZLE-YUMQZZPRSA-N
Compound name
(2S)-2-amino-5-[[(2R)-1-[(2-ethoxy-2-oxoethyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

306
References

1118
Patents

335.1151 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.12238 176.9
[M+Na]+ 358.10432 176.8
[M+NH4]+ 353.14892 177.9
[M+K]+ 374.07826 176.3
[M-H]- 334.10782 171.6
[M+Na-2H]- 356.08977 172.9
[M]+ 335.11455 174.6
[M]- 335.11565 174.6
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