CID 135525334

N2-phenylacetyl guanosine

Structural Information

Molecular Formula
C18H19N5O6
SMILES
C1=CC=C(C=C1)CC(=O)NC2=NC3=C(C(=O)N2)N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI
InChI=1S/C18H19N5O6/c24-7-10-13(26)14(27)17(29-10)23-8-19-12-15(23)21-18(22-16(12)28)20-11(25)6-9-4-2-1-3-5-9/h1-5,8,10,13-14,17,24,26-27H,6-7H2,(H2,20,21,22,25,28)/t10-,13-,14-,17-/m1/s1
InChIKey
IRSCBAKCFOLZNC-IWCJZZDYSA-N
Compound name
N-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

401.13354 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.14082 192.2
[M+Na]+ 424.12276 202.2
[M+NH4]+ 419.16736 194.4
[M+K]+ 440.09670 204.1
[M-H]- 400.12626 193.5
[M+Na-2H]- 422.10821 194.1
[M]+ 401.13299 193.3
[M]- 401.13409 193.3
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

patents stripe