CID 11253490

Dutogliptin

Structural Information

Molecular Formula
C10H20BN3O3
SMILES
B([C@@H]1CCCN1C(=O)CN[C@@H]2CCNC2)(O)O
InChI
InChI=1S/C10H20BN3O3/c15-10(7-13-8-3-4-12-6-8)14-5-1-2-9(14)11(16)17/h8-9,12-13,16-17H,1-7H2/t8-,9+/m1/s1
InChIKey
DVJAMEIQRSHVKC-BDAKNGLRSA-N
Compound name
[(2R)-1-[2-[[(3R)-pyrrolidin-3-yl]amino]acetyl]pyrrolidin-2-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

16
References

4582
Patents

241.15977 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.16705 156.3
[M+Na]+ 264.14899 157.9
[M-H]- 240.15249 155.3
[M+NH4]+ 259.19359 171.4
[M+K]+ 280.12293 155.8
[M+H-H2O]+ 224.15703 148.6
[M+HCOO]- 286.15797 170.1
[M+CH3COO]- 300.17362 184.8
[M+Na-2H]- 262.13444 153.4
[M]+ 241.15922 147.5
[M]- 241.16032 147.5
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