CID 464415

N(6)-c-hep-1-deaza-dda

Structural Information

Molecular Formula
C18H26N4O2
SMILES
C1CCCC(CC1)NC2=C3C(=NC=C2)N(C=N3)[C@H]4CC[C@H](O4)CO
InChI
InChI=1S/C18H26N4O2/c23-11-14-7-8-16(24-14)22-12-20-17-15(9-10-19-18(17)22)21-13-5-3-1-2-4-6-13/h9-10,12-14,16,23H,1-8,11H2,(H,19,21)/t14-,16+/m0/s1
InChIKey
JHPSVUBZLJAPCW-GOEBONIOSA-N
Compound name
[(2S,5R)-5-[7-(cycloheptylamino)imidazo[4,5-b]pyridin-3-yl]oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.20557 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.21285 177.9
[M+Na]+ 353.19479 181.6
[M-H]- 329.19829 184.7
[M+NH4]+ 348.23939 188.7
[M+K]+ 369.16873 180.8
[M+H-H2O]+ 313.20283 167.2
[M+HCOO]- 375.20377 192.5
[M+CH3COO]- 389.21942 186.2
[M+Na-2H]- 351.18024 177.3
[M]+ 330.20502 171.4
[M]- 330.20612 171.4
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.