CID 46917793

Gdc-0575

Structural Information

Molecular Formula
C16H20BrN5O
SMILES
C1C[C@H](CN(C1)C2=C3C(=CNC3=NC=C2Br)NC(=O)C4CC4)N
InChI
InChI=1S/C16H20BrN5O/c17-11-6-19-15-13(14(11)22-5-1-2-10(18)8-22)12(7-20-15)21-16(23)9-3-4-9/h6-7,9-10H,1-5,8,18H2,(H,19,20)(H,21,23)/t10-/m1/s1
InChIKey
BAZRWWGASYWYGB-SNVBAGLBSA-N
Compound name
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

910
Patents

377.0851 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.09238 181.2
[M+Na]+ 400.07432 192.1
[M-H]- 376.07782 188.9
[M+NH4]+ 395.11892 190.2
[M+K]+ 416.04826 176.9
[M+H-H2O]+ 360.08236 178.6
[M+HCOO]- 422.08330 196.6
[M+CH3COO]- 436.09895 191.3
[M+Na-2H]- 398.05977 183.4
[M]+ 377.08455 196.0
[M]- 377.08565 196.0
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