CID 44141939

1-[(2s)-4-(5-bromo-1h-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine

Structural Information

Molecular Formula
C11H14BrN5O
SMILES
C1CO[C@H](CN1C2=C3C=NNC3=NC=C2Br)CN
InChI
InChI=1S/C11H14BrN5O/c12-9-5-14-11-8(4-15-16-11)10(9)17-1-2-18-7(3-13)6-17/h4-5,7H,1-3,6,13H2,(H,14,15,16)/t7-/m0/s1
InChIKey
BJUBFXSKTBULRW-ZETCQYMHSA-N
Compound name
[(2S)-4-(5-bromo-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

311.03818 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.04546 161.6
[M+Na]+ 334.02740 172.9
[M-H]- 310.03090 165.7
[M+NH4]+ 329.07200 175.3
[M+K]+ 350.00134 161.1
[M+H-H2O]+ 294.03544 158.9
[M+HCOO]- 356.03638 175.6
[M+CH3COO]- 370.05203 173.5
[M+Na-2H]- 332.01285 167.5
[M]+ 311.03763 177.1
[M]- 311.03873 177.1
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