CID 135412815

2-amino-9-[(1r,4s)-4-(4-hydroxybutoxy)cyclopent-2-en-1-yl]-1h-purin-6-one

Structural Information

Molecular Formula
C14H19N5O3
SMILES
C1[C@H](C=C[C@H]1OCCCCO)N2C=NC3=C2N=C(NC3=O)N
InChI
InChI=1S/C14H19N5O3/c15-14-17-12-11(13(21)18-14)16-8-19(12)9-3-4-10(7-9)22-6-2-1-5-20/h3-4,8-10,20H,1-2,5-7H2,(H3,15,17,18,21)/t9-,10+/m0/s1
InChIKey
MUOWFYBPKIPXEO-VHSXEESVSA-N
Compound name
2-amino-9-[(1R,4S)-4-(4-hydroxybutoxy)cyclopent-2-en-1-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1488 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.15608 168.0
[M+Na]+ 328.13802 177.2
[M-H]- 304.14152 168.8
[M+NH4]+ 323.18262 180.5
[M+K]+ 344.11196 171.9
[M+H-H2O]+ 288.14606 159.0
[M+HCOO]- 350.14700 186.6
[M+CH3COO]- 364.16265 178.1
[M+Na-2H]- 326.12347 169.5
[M]+ 305.14825 169.4
[M]- 305.14935 169.4
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.