CID 464400

Aag144

Structural Information

Molecular Formula
C18H26N4O3
SMILES
C1CCCC(CC1)NC2=C3C(=NC=C2)N(C=N3)[C@H]4C[C@@H]([C@H](O4)CO)O
InChI
InChI=1S/C18H26N4O3/c23-10-15-14(24)9-16(25-15)22-11-20-17-13(7-8-19-18(17)22)21-12-5-3-1-2-4-6-12/h7-8,11-12,14-16,23-24H,1-6,9-10H2,(H,19,21)/t14-,15+,16+/m0/s1
InChIKey
YKCUGFGVEQMOFA-ARFHVFGLSA-N
Compound name
(2R,3S,5R)-5-[7-(cycloheptylamino)imidazo[4,5-b]pyridin-3-yl]-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

346.2005 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.20778 181.6
[M+Na]+ 369.18972 185.5
[M-H]- 345.19322 187.7
[M+NH4]+ 364.23432 191.4
[M+K]+ 385.16366 185.0
[M+H-H2O]+ 329.19776 171.3
[M+HCOO]- 391.19870 195.0
[M+CH3COO]- 405.21435 189.5
[M+Na-2H]- 367.17517 180.2
[M]+ 346.19995 175.2
[M]- 346.20105 175.2
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.