CID 135435111

7-methyl-8-oxoguanosine

Structural Information

Molecular Formula
C11H15N5O6
SMILES
CN1C2=C(N=C(NC2=O)N)N(C1=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C11H15N5O6/c1-15-4-7(13-10(12)14-8(4)20)16(11(15)21)9-6(19)5(18)3(2-17)22-9/h3,5-6,9,17-19H,2H2,1H3,(H3,12,13,14,20)/t3-,5-,6-,9-/m1/s1
InChIKey
HPKQEMIXSLRGJU-UUOKFMHZSA-N
Compound name
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-1H-purine-6,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

4388
Patents

313.10223 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.10951 169.5
[M+Na]+ 336.09145 181.2
[M-H]- 312.09495 170.0
[M+NH4]+ 331.13605 179.7
[M+K]+ 352.06539 177.3
[M+H-H2O]+ 296.09949 162.8
[M+HCOO]- 358.10043 184.0
[M+CH3COO]- 372.11608 200.9
[M+Na-2H]- 334.07690 168.3
[M]+ 313.10168 170.8
[M]- 313.10278 170.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe