CID 135625283

Guanosine abp

Structural Information

Molecular Formula
C22H22N6O5
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)NC3=NC4=C(N3[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)N=C(NC4=O)N
InChI
InChI=1S/C22H22N6O5/c23-21-26-18-15(19(32)27-21)25-22(28(18)20-17(31)16(30)14(10-29)33-20)24-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14,16-17,20,29-31H,10H2,(H,24,25)(H3,23,26,27,32)/t14-,16-,17-,20-/m1/s1
InChIKey
MJCZPTFZYZULKP-WVSUBDOOSA-N
Compound name
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-(4-phenylanilino)-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

450.16516 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.17244 201.8
[M+Na]+ 473.15438 209.8
[M-H]- 449.15788 208.5
[M+NH4]+ 468.19898 205.0
[M+K]+ 489.12832 203.6
[M+H-H2O]+ 433.16242 192.0
[M+HCOO]- 495.16336 215.9
[M+CH3COO]- 509.17901 209.0
[M+Na-2H]- 471.13983 200.8
[M]+ 450.16461 200.8
[M]- 450.16571 200.8
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

No patent data available for this compound.