CID 135445750

7-methylguanosine

Structural Information

Molecular Formula
C11H16N5O5
SMILES
CN1C=[N+](C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C11H15N5O5/c1-15-3-16(8-5(15)9(20)14-11(12)13-8)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2-,12,13,14,20)/p+1/t4-,6-,7-,10-/m1/s1
InChIKey
OGHAROSJZRTIOK-KQYNXXCUSA-O
Compound name
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-1H-purin-9-ium-6-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

316
References

20209
Patents

298.11514 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12242 165.9
[M+Na]+ 321.10436 176.4
[M-H]- 297.10786 166.3
[M+NH4]+ 316.14896 176.3
[M+K]+ 337.07830 166.9
[M+H-H2O]+ 281.11240 161.5
[M+HCOO]- 343.11334 179.9
[M+CH3COO]- 357.12899 189.8
[M+Na-2H]- 319.08981 168.7
[M]+ 298.11459 164.6
[M]- 298.11569 164.6
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.