CID 198796

N-acetyl-6-o-(phenylmethyl)guanosine

Structural Information

Molecular Formula
C19H21N5O6
SMILES
CC(=O)NC1=NC2=C(C(=N1)OCC3=CC=CC=C3)N=CN2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI
InChI=1S/C19H21N5O6/c1-10(26)21-19-22-16-13(17(23-19)29-8-11-5-3-2-4-6-11)20-9-24(16)18-15(28)14(27)12(7-25)30-18/h2-6,9,12,14-15,18,25,27-28H,7-8H2,1H3,(H,21,22,23,26)/t12-,14-,15-,18-/m1/s1
InChIKey
LAIWOVGMPGLWTI-SCFUHWHPSA-N
Compound name
N-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-phenylmethoxypurin-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

415.14917 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.15645 196.8
[M+Na]+ 438.13839 207.1
[M+NH4]+ 433.18299 199.5
[M+K]+ 454.11233 208.5
[M-H]- 414.14189 198.7
[M+Na-2H]- 436.12384 199.1
[M]+ 415.14862 198.3
[M]- 415.14972 198.3
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