CID 468297

Ovtsqjgpqpfjer-bdaknglrsa-n

Structural Information

Molecular Formula
C13H18N6O
SMILES
CCNC1=C2C(=NC(=N1)N)N(C=N2)[C@@H]3C[C@@H](C=C3)CO
InChI
InChI=1S/C13H18N6O/c1-2-15-11-10-12(18-13(14)17-11)19(7-16-10)9-4-3-8(5-9)6-20/h3-4,7-9,20H,2,5-6H2,1H3,(H3,14,15,17,18)/t8-,9+/m1/s1
InChIKey
OVTSQJGPQPFJER-BDAKNGLRSA-N
Compound name
[(1S,4R)-4-[2-amino-6-(ethylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

274.1542 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.16148 161.1
[M+Na]+ 297.14342 170.7
[M-H]- 273.14692 163.5
[M+NH4]+ 292.18802 175.7
[M+K]+ 313.11736 165.7
[M+H-H2O]+ 257.15146 152.0
[M+HCOO]- 319.15240 182.2
[M+CH3COO]- 333.16805 172.2
[M+Na-2H]- 295.12887 164.3
[M]+ 274.15365 161.5
[M]- 274.15475 161.5
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