CID 46937052

(2s)-1-(6h-indol-3-yl)-3-{[5-(7h-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-yl]oxy}propan-2-amine

Structural Information

Molecular Formula
C22H20N6O
SMILES
C1C=CC2=C(C=NC2=C1)C[C@@H](COC3=CN=CC(=C3)C4=NCC5=NN=CC5=C4)N
InChI
InChI=1S/C22H20N6O/c23-17(5-14-9-25-20-4-2-1-3-19(14)20)13-29-18-6-15(8-24-11-18)21-7-16-10-27-28-22(16)12-26-21/h1,3-4,6-11,17H,2,5,12-13,23H2/t17-/m0/s1
InChIKey
CCIACUJJBPSOHE-KRWDZBQOSA-N
Compound name
(2S)-1-(6H-indol-3-yl)-3-[5-(7H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-yl]oxypropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

384.16986 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.17714 188.7
[M+Na]+ 407.15908 196.6
[M-H]- 383.16258 194.2
[M+NH4]+ 402.20368 197.8
[M+K]+ 423.13302 189.3
[M+H-H2O]+ 367.16712 176.5
[M+HCOO]- 429.16806 205.5
[M+CH3COO]- 443.18371 197.2
[M+Na-2H]- 405.14453 191.1
[M]+ 384.16931 189.9
[M]- 384.17041 189.9
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