CID 453757

2',3'-dideoxy-n^6-methyl-4'-thioadenosine

Structural Information

Molecular Formula
C11H15N5OS
SMILES
CNC1=C2C(=NC=N1)N(C=N2)[C@H]3CC[C@H](S3)CO
InChI
InChI=1S/C11H15N5OS/c1-12-10-9-11(14-5-13-10)16(6-15-9)8-3-2-7(4-17)18-8/h5-8,17H,2-4H2,1H3,(H,12,13,14)/t7-,8+/m0/s1
InChIKey
ANZVBDMYBZKQST-JGVFFNPUSA-N
Compound name
[(2S,5R)-5-[6-(methylamino)purin-9-yl]thiolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

265.09973 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.10701 156.5
[M+Na]+ 288.08895 167.1
[M-H]- 264.09245 159.1
[M+NH4]+ 283.13355 172.7
[M+K]+ 304.06289 162.6
[M+H-H2O]+ 248.09699 148.9
[M+HCOO]- 310.09793 171.8
[M+CH3COO]- 324.11358 168.1
[M+Na-2H]- 286.07440 157.7
[M]+ 265.09918 158.6
[M]- 265.10028 158.6
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