CID 71738890

Schembl15276018

Structural Information

Molecular Formula
C19H25N7O2
SMILES
CCOC1=CN=C(N=C1)NCC2=CC3=C(N=C2N4CCOCC4)N(N=C3C)C
InChI
InChI=1S/C19H25N7O2/c1-4-28-15-11-21-19(22-12-15)20-10-14-9-16-13(2)24-25(3)18(16)23-17(14)26-5-7-27-8-6-26/h9,11-12H,4-8,10H2,1-3H3,(H,20,21,22)
InChIKey
XMGPQSFXHUQCHL-UHFFFAOYSA-N
Compound name
N-[(1,3-dimethyl-6-morpholin-4-ylpyrazolo[3,4-b]pyridin-5-yl)methyl]-5-ethoxypyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

383.20697 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.21425 196.4
[M+Na]+ 406.19619 204.9
[M-H]- 382.19969 200.0
[M+NH4]+ 401.24079 200.8
[M+K]+ 422.17013 199.1
[M+H-H2O]+ 366.20423 183.0
[M+HCOO]- 428.20517 209.9
[M+CH3COO]- 442.22082 204.0
[M+Na-2H]- 404.18164 198.7
[M]+ 383.20642 198.6
[M]- 383.20752 198.6
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

patents stripe