CID 124206

7-deaza-ehna

Structural Information

Molecular Formula
C15H24N4O
SMILES
CCCCCC[C@@H](C(C)O)N1C=CC2=C(N=CN=C21)N
InChI
InChI=1S/C15H24N4O/c1-3-4-5-6-7-13(11(2)20)19-9-8-12-14(16)17-10-18-15(12)19/h8-11,13,20H,3-7H2,1-2H3,(H2,16,17,18)/t11?,13-/m0/s1
InChIKey
XJXHFKSYERWTQJ-YUZLPWPTSA-N
Compound name
(3S)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)nonan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

276.195 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.20228 166.8
[M+Na]+ 299.18422 177.1
[M+NH4]+ 294.22882 172.6
[M+K]+ 315.15816 173.5
[M-H]- 275.18772 166.6
[M+Na-2H]- 297.16967 170.0
[M]+ 276.19445 167.8
[M]- 276.19555 167.8
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