CID 5220

2,5-diamino-6-[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2,5-dimethyloxolan-2-yl]hexanoic acid

Structural Information

Molecular Formula
C17H27N7O5
SMILES
CC1(C(C(C(O1)(C)N2C=NC3=C(N=CN=C32)N)O)O)CC(CCC(C(=O)O)N)N
InChI
InChI=1S/C17H27N7O5/c1-16(5-8(18)3-4-9(19)15(27)28)11(25)12(26)17(2,29-16)24-7-23-10-13(20)21-6-22-14(10)24/h6-9,11-12,25-26H,3-5,18-19H2,1-2H3,(H,27,28)(H2,20,21,22)
InChIKey
UAFLJIXGDUIQEM-UHFFFAOYSA-N
Compound name
2,5-diamino-6-[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2,5-dimethyloxolan-2-yl]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

409.20737 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.21465 190.7
[M+Na]+ 432.19659 196.9
[M-H]- 408.20009 190.8
[M+NH4]+ 427.24119 199.8
[M+K]+ 448.17053 195.4
[M+H-H2O]+ 392.20463 184.2
[M+HCOO]- 454.20557 202.8
[M+CH3COO]- 468.22122 226.7
[M+Na-2H]- 430.18204 189.8
[M]+ 409.20682 190.2
[M]- 409.20792 190.2
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.