CID 9821178

1-ethyl-n-(phenylmethyl)-4-(tetrahydro-2h-pyran-4-ylamino)-1h-pyrazolo[3,4-b]pyridine-5-carboxamide

Structural Information

Molecular Formula
C21H25N5O2
SMILES
CCN1C2=NC=C(C(=C2C=N1)NC3CCOCC3)C(=O)NCC4=CC=CC=C4
InChI
InChI=1S/C21H25N5O2/c1-2-26-20-17(14-24-26)19(25-16-8-10-28-11-9-16)18(13-22-20)21(27)23-12-15-6-4-3-5-7-15/h3-7,13-14,16H,2,8-12H2,1H3,(H,22,25)(H,23,27)
InChIKey
QZGJNFBMYYEFGM-UHFFFAOYSA-N
Compound name
N-benzyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

115
Patents

379.20084 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.20812 189.9
[M+Na]+ 402.19006 194.8
[M-H]- 378.19356 196.7
[M+NH4]+ 397.23466 197.8
[M+K]+ 418.16400 190.0
[M+H-H2O]+ 362.19810 178.1
[M+HCOO]- 424.19904 207.5
[M+CH3COO]- 438.21469 198.1
[M+Na-2H]- 400.17551 193.4
[M]+ 379.20029 188.8
[M]- 379.20139 188.8
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