CID 6918572

Talabostat

Structural Information

Molecular Formula
C9H19BN2O3
SMILES
B([C@@H]1CCCN1C(=O)[C@H](C(C)C)N)(O)O
InChI
InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1
InChIKey
FKCMADOPPWWGNZ-YUMQZZPRSA-N
Compound name
[(2R)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

44
References

5464
Patents

214.14888 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.15616 150.2
[M+Na]+ 237.13810 154.7
[M+NH4]+ 232.18270 155.0
[M+K]+ 253.11204 155.7
[M-H]- 213.14160 147.7
[M+Na-2H]- 235.12355 149.4
[M]+ 214.14833 149.3
[M]- 214.14943 149.3
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