CID 135398701

7-methylguanosine 5'-phosphate

Structural Information

Molecular Formula
C11H17N5O8P
SMILES
CN1C=[N+](C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
InChI
InChI=1S/C11H16N5O8P/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H4-,12,13,14,19,20,21,22)/p+1/t4-,6-,7-,10-/m1/s1
InChIKey
AOKQNZVJJXPUQA-KQYNXXCUSA-O
Compound name
[(2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-1H-purin-9-ium-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

34
References

126
Patents

378.08148 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.08876 176.9
[M+Na]+ 401.07070 184.8
[M+NH4]+ 396.11530 177.9
[M+K]+ 417.04464 192.0
[M-H]- 377.07420 174.9
[M+Na-2H]- 399.05615 175.0
[M]+ 378.08093 176.8
[M]- 378.08203 176.8
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