CID 503008

9-(2,5-diamino-2,3,5-trideoxy-.beta.-d-erythro-pentofuranosyl)adenine

Structural Information

Molecular Formula
C10H15N7O
SMILES
C1[C@H](O[C@H]([C@@H]1N)N2C=NC3=C(N=CN=C32)N)CN
InChI
InChI=1S/C10H15N7O/c11-2-5-1-6(12)10(18-5)17-4-16-7-8(13)14-3-15-9(7)17/h3-6,10H,1-2,11-12H2,(H2,13,14,15)/t5-,6+,10+/m0/s1
InChIKey
DHQGNBXKPQWBBK-BAJZRUMYSA-N
Compound name
9-[(2R,3R,5S)-3-amino-5-(aminomethyl)oxolan-2-yl]purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.1338 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14108 153.4
[M+Na]+ 272.12302 163.1
[M-H]- 248.12652 156.8
[M+NH4]+ 267.16762 167.4
[M+K]+ 288.09696 159.8
[M+H-H2O]+ 232.13106 144.3
[M+HCOO]- 294.13200 174.4
[M+CH3COO]- 308.14765 164.9
[M+Na-2H]- 270.10847 156.5
[M]+ 249.13325 151.2
[M]- 249.13435 151.2
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.