CID 512727

3-deazaguanosine 3',5'-cyclic phosphate

Structural Information

Molecular Formula
C11H13N4O7P
SMILES
C1C2C([C@H]([C@@H](O2)N3C=NC4=C3C=C(NC4=O)N)O)OP(=O)(O1)O
InChI
InChI=1S/C11H13N4O7P/c12-6-1-4-7(10(17)14-6)13-3-15(4)11-8(16)9-5(21-11)2-20-23(18,19)22-9/h1,3,5,8-9,11,16H,2H2,(H,18,19)(H3,12,14,17)/t5?,8-,9?,11-/m1/s1
InChIKey
KAGWKVZYVMYTCC-MUMSQZJKSA-N
Compound name
6-amino-1-[(6R,7R)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5H-imidazo[4,5-c]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.0522 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.05948 172.4
[M+Na]+ 367.04142 182.0
[M-H]- 343.04492 175.1
[M+NH4]+ 362.08602 183.0
[M+K]+ 383.01536 181.9
[M+H-H2O]+ 327.04946 164.0
[M+HCOO]- 389.05040 189.4
[M+CH3COO]- 403.06605 182.4
[M+Na-2H]- 365.02687 172.4
[M]+ 344.05165 173.5
[M]- 344.05275 173.5
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

No patent data available for this compound.