CID 135659020

Dguo-phip

Structural Information

Molecular Formula
C23H23N9O4
SMILES
CN1C2=C(N=CC(=C2)C3=CC=CC=C3)N=C1NC4=NC5=C(N4[C@H]6C[C@@H]([C@H](O6)CO)O)N=C(NC5=O)N
InChI
InChI=1S/C23H23N9O4/c1-31-13-7-12(11-5-3-2-4-6-11)9-25-18(13)27-22(31)30-23-26-17-19(28-21(24)29-20(17)35)32(23)16-8-14(34)15(10-33)36-16/h2-7,9,14-16,33-34H,8,10H2,1H3,(H3,24,28,29,35)(H,25,26,27,30)/t14-,15+,16+/m0/s1
InChIKey
UHVGJHQDVDVQHH-ARFHVFGLSA-N
Compound name
2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-[(1-methyl-6-phenylimidazo[4,5-b]pyridin-2-yl)amino]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

0
Patents

489.1873 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.19458 209.4
[M+Na]+ 512.17652 220.0
[M-H]- 488.18002 216.8
[M+NH4]+ 507.22112 211.2
[M+K]+ 528.15046 213.0
[M+H-H2O]+ 472.18456 199.9
[M+HCOO]- 534.18550 222.4
[M+CH3COO]- 548.20115 216.4
[M+Na-2H]- 510.16197 207.1
[M]+ 489.18675 212.3
[M]- 489.18785 212.3
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

No patent data available for this compound.