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

literature stripe

Patent stripe

patents stripe