CID 44129608

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

Structural Information

Molecular Formula
C17H19N5O
SMILES
C1CO[C@H](CN1C2=C3C=NNC3=NC=C2C4=CC=CC=C4)CN
InChI
InChI=1S/C17H19N5O/c18-8-13-11-22(6-7-23-13)16-14(12-4-2-1-3-5-12)9-19-17-15(16)10-20-21-17/h1-5,9-10,13H,6-8,11,18H2,(H,19,20,21)/t13-/m0/s1
InChIKey
YBRZCAKSBYWZTC-ZDUSSCGKSA-N
Compound name
[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

309.15897 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.16625 172.4
[M+Na]+ 332.14819 179.9
[M-H]- 308.15169 176.6
[M+NH4]+ 327.19279 181.4
[M+K]+ 348.12213 173.7
[M+H-H2O]+ 292.15623 161.1
[M+HCOO]- 354.15717 187.5
[M+CH3COO]- 368.17282 181.4
[M+Na-2H]- 330.13364 176.5
[M]+ 309.15842 168.4
[M]- 309.15952 168.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.