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
3
Annotation Hits

44
References

5474
Patents

214.14888 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.15616 151.3
[M+Na]+ 237.13810 154.5
[M-H]- 213.14160 149.8
[M+NH4]+ 232.18270 168.1
[M+K]+ 253.11204 153.9
[M+H-H2O]+ 197.14614 145.1
[M+HCOO]- 259.14708 166.3
[M+CH3COO]- 273.16273 185.9
[M+Na-2H]- 235.12355 147.6
[M]+ 214.14833 145.6
[M]- 214.14943 145.6
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