CID 198452

Glycinothricin

Structural Information

Molecular Formula
C17H29N7O8
SMILES
CN1C[C@H]([C@@H]2[C@@H](C1=O)N=C(N2)N[C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)OC(=O)N)O)N(C)C(=O)CN)O
InChI
InChI=1S/C17H29N7O8/c1-23-4-6(26)9-10(15(23)29)21-17(20-9)22-14-11(24(2)8(27)3-18)12(28)13(32-16(19)30)7(5-25)31-14/h6-7,9-14,25-26,28H,3-5,18H2,1-2H3,(H2,19,30)(H2,20,21,22)/t6-,7-,9-,10+,11-,12+,13+,14-/m1/s1
InChIKey
IGGCBWFVVFZDLU-HZSGZFBJSA-N
Compound name
[(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-5-methyl-4-oxo-3a,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl]amino]-5-[(2-aminoacetyl)-methylamino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.20776 Da
Monoisotopic Mass

-5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.21504 203.2
[M+Na]+ 482.19698 203.2
[M+NH4]+ 477.24158 201.9
[M+K]+ 498.17092 210.5
[M-H]- 458.20048 201.4
[M+Na-2H]- 480.18243 220.5
[M]+ 459.20721 201.2
[M]- 459.20831 201.2
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.