CID 485102

N^6-anisoyladenosine

Structural Information

Molecular Formula
C18H19N5O4
SMILES
COC1=CC=C(C=C1)C(=O)NC2=C3C(=NC=N2)N(C=N3)[C@H]4CC[C@H](O4)CO
InChI
InChI=1S/C18H19N5O4/c1-26-12-4-2-11(3-5-12)18(25)22-16-15-17(20-9-19-16)23(10-21-15)14-7-6-13(8-24)27-14/h2-5,9-10,13-14,24H,6-8H2,1H3,(H,19,20,22,25)/t13-,14+/m0/s1
InChIKey
PLTAYJFDENSHFB-UONOGXRCSA-N
Compound name
N-[9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.1437 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.15098 182.8
[M+Na]+ 392.13292 190.6
[M-H]- 368.13642 189.0
[M+NH4]+ 387.17752 191.5
[M+K]+ 408.10686 187.2
[M+H-H2O]+ 352.14096 172.7
[M+HCOO]- 414.14190 200.2
[M+CH3COO]- 428.15755 192.4
[M+Na-2H]- 390.11837 184.1
[M]+ 369.14315 185.7
[M]- 369.14425 185.7
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

No patent data available for this compound.