CID 34507

Isopropylphenyladenosine

Structural Information

Molecular Formula
C19H23N5O4
SMILES
CC(C)N(C1=CC=CC=C1)C2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI
InChI=1S/C19H23N5O4/c1-11(2)24(12-6-4-3-5-7-12)18-14-17(20-9-21-18)23(10-22-14)19-16(27)15(26)13(8-25)28-19/h3-7,9-11,13,15-16,19,25-27H,8H2,1-2H3/t13-,15-,16-,19-/m1/s1
InChIKey
FOQCCKILBKXEHH-NVQRDWNXSA-N
Compound name
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(N-propan-2-ylanilino)purin-9-yl]oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

916
References

2
Patents

385.17502 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.18230 189.9
[M+Na]+ 408.16424 201.0
[M+NH4]+ 403.20884 194.3
[M+K]+ 424.13818 201.7
[M-H]- 384.16774 193.2
[M+Na-2H]- 406.14969 193.8
[M]+ 385.17447 192.1
[M]- 385.17557 192.1
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