CID 9576154

25816-87-9

Structural Information

Molecular Formula
C13H18N6O4
SMILES
CN(C)/C=N/C1=C2C(=NC=N1)N(C=N2)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C13H18N6O4/c1-18(2)5-17-11-8-12(15-4-14-11)19(6-16-8)13-10(22)9(21)7(3-20)23-13/h4-7,9-10,13,20-22H,3H2,1-2H3/b17-5+/t7-,9-,10+,13-/m1/s1
InChIKey
ALIMWRMSWXTSDB-SHILPKQESA-N
Compound name
N'-[9-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]-N,N-dimethylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.13895 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.14623 172.3
[M+Na]+ 345.12817 181.0
[M-H]- 321.13167 175.9
[M+NH4]+ 340.17277 183.5
[M+K]+ 361.10211 179.2
[M+H-H2O]+ 305.13621 163.5
[M+HCOO]- 367.13715 191.1
[M+CH3COO]- 381.15280 210.2
[M+Na-2H]- 343.11362 174.1
[M]+ 322.13840 175.8
[M]- 322.13950 175.8
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.