CID 468290

Schembl9219201

Structural Information

Molecular Formula
C14H19N5O2
SMILES
CCCOC1=NC(=NC2=C1N=CN2[C@@H]3C[C@@H](C=C3)CO)N
InChI
InChI=1S/C14H19N5O2/c1-2-5-21-13-11-12(17-14(15)18-13)19(8-16-11)10-4-3-9(6-10)7-20/h3-4,8-10,20H,2,5-7H2,1H3,(H2,15,17,18)/t9-,10+/m1/s1
InChIKey
WJFMCFHUTPSPPX-ZJUUUORDSA-N
Compound name
[(1S,4R)-4-(2-amino-6-propoxypurin-9-yl)cyclopent-2-en-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

289.15387 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.16115 165.9
[M+Na]+ 312.14309 175.7
[M-H]- 288.14659 168.0
[M+NH4]+ 307.18769 180.0
[M+K]+ 328.11703 171.0
[M+H-H2O]+ 272.15113 156.8
[M+HCOO]- 334.15207 185.7
[M+CH3COO]- 348.16772 176.9
[M+Na-2H]- 310.12854 167.7
[M]+ 289.15332 168.5
[M]- 289.15442 168.5
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

patents stripe