CID 496402

Nsc688537

Structural Information

Molecular Formula
C19H23N5O3
SMILES
CC(CC1=CC=CC=C1)NC2=C3C(=NC=N2)N(C=N3)C4C(CC(O4)CO)O
InChI
InChI=1S/C19H23N5O3/c1-12(7-13-5-3-2-4-6-13)23-17-16-18(21-10-20-17)24(11-22-16)19-15(26)8-14(9-25)27-19/h2-6,10-12,14-15,19,25-26H,7-9H2,1H3,(H,20,21,23)
InChIKey
BFXHWITVJAUCOT-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-2-[6-(1-phenylpropan-2-ylamino)purin-9-yl]oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.18008 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.18736 185.0
[M+Na]+ 392.16930 191.8
[M-H]- 368.17280 189.6
[M+NH4]+ 387.21390 193.2
[M+K]+ 408.14324 187.4
[M+H-H2O]+ 352.17734 175.0
[M+HCOO]- 414.17828 200.3
[M+CH3COO]- 428.19393 193.6
[M+Na-2H]- 390.15475 185.3
[M]+ 369.17953 185.9
[M]- 369.18063 185.9
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.