CID 9578576

N(sup 6)-(dimethylamino)ethylidene(9-beta-d-arabinofuranosyl)adenine

Structural Information

Molecular Formula
C14H20N6O4
SMILES
C/C(=N/C1=C2C(=NC=N1)N(C=N2)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)/N(C)C
InChI
InChI=1S/C14H20N6O4/c1-7(19(2)3)18-12-9-13(16-5-15-12)20(6-17-9)14-11(23)10(22)8(4-21)24-14/h5-6,8,10-11,14,21-23H,4H2,1-3H3/b18-7-/t8-,10-,11+,14-/m1/s1
InChIKey
RSXQIOUBQZUUGO-BEVBHIEGSA-N
Compound name
N'-[9-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]-N,N-dimethylethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.1546 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.16188 177.5
[M+Na]+ 359.14382 185.6
[M-H]- 335.14732 181.2
[M+NH4]+ 354.18842 188.3
[M+K]+ 375.11776 184.2
[M+H-H2O]+ 319.15186 168.9
[M+HCOO]- 381.15280 195.1
[M+CH3COO]- 395.16845 213.5
[M+Na-2H]- 357.12927 177.8
[M]+ 336.15405 180.8
[M]- 336.15515 180.8
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.