CID 452776

3'dibunhda

Structural Information

Molecular Formula
C18H30N6O3
SMILES
CCCCN(CCCC)[C@@H]1[C@H](O[C@H]([C@H]1O)N2C=NC3=C(N=CN=C32)N)CO
InChI
InChI=1S/C18H30N6O3/c1-3-5-7-23(8-6-4-2)14-12(9-25)27-18(15(14)26)24-11-22-13-16(19)20-10-21-17(13)24/h10-12,14-15,18,25-26H,3-9H2,1-2H3,(H2,19,20,21)/t12-,14-,15+,18-/m1/s1
InChIKey
CMHXWLDHUXCSBM-LJGDNWOOSA-N
Compound name
(2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-4-(dibutylamino)-5-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.23795 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.24523 192.3
[M+Na]+ 401.22717 198.7
[M-H]- 377.23067 194.5
[M+NH4]+ 396.27177 201.2
[M+K]+ 417.20111 195.6
[M+H-H2O]+ 361.23521 182.7
[M+HCOO]- 423.23615 208.5
[M+CH3COO]- 437.25180 223.3
[M+Na-2H]- 399.21262 190.6
[M]+ 378.23740 195.9
[M]- 378.23850 195.9
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.