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

314
References

23199
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

literature stripe

Patent stripe

patents stripe