CID 87609775

Azd-9684

Structural Information

Molecular Formula
C10H14N2O2S
SMILES
C[C@H]([C@@H](CC1=CN=C(C=C1)N)C(=O)O)S
InChI
InChI=1S/C10H14N2O2S/c1-6(15)8(10(13)14)4-7-2-3-9(11)12-5-7/h2-3,5-6,8,15H,4H2,1H3,(H2,11,12)(H,13,14)/t6-,8-/m1/s1
InChIKey
GYIYAOUGKJSCCG-HTRCEHHLSA-N
Compound name
(2S,3R)-2-[(6-aminopyridin-3-yl)methyl]-3-sulfanylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

1
Patents

226.0776 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08488 149.5
[M+Na]+ 249.06682 158.6
[M+NH4]+ 244.11142 156.2
[M+K]+ 265.04076 153.2
[M-H]- 225.07032 149.9
[M+Na-2H]- 247.05227 153.1
[M]+ 226.07705 151.0
[M]- 226.07815 151.0
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