CID 452785

2'cyhexnhda

Structural Information

Molecular Formula
C16H24N6O3
SMILES
C1CCC(CC1)N[C@@H]2[C@H]([C@H](O[C@H]2N3C=NC4=C(N=CN=C43)N)CO)O
InChI
InChI=1S/C16H24N6O3/c17-14-12-15(19-7-18-14)22(8-20-12)16-11(13(24)10(6-23)25-16)21-9-4-2-1-3-5-9/h7-11,13,16,21,23-24H,1-6H2,(H2,17,18,19)/t10-,11-,13+,16-/m1/s1
InChIKey
NKUUSDSMDVMYQQ-RLSLPTNOSA-N
Compound name
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-(cyclohexylamino)-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.19098 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.19826 178.6
[M+Na]+ 371.18020 184.2
[M-H]- 347.18370 182.3
[M+NH4]+ 366.22480 187.3
[M+K]+ 387.15414 180.0
[M+H-H2O]+ 331.18824 168.9
[M+HCOO]- 393.18918 192.1
[M+CH3COO]- 407.20483 186.6
[M+Na-2H]- 369.16565 177.9
[M]+ 348.19043 174.0
[M]- 348.19153 174.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.