CID 468299

Schembl9217536

Structural Information

Molecular Formula
C13H18N6O
SMILES
CN(C)C1=NC(=NC2=C1N=CN2[C@@H]3C[C@@H](C=C3)CO)N
InChI
InChI=1S/C13H18N6O/c1-18(2)11-10-12(17-13(14)16-11)19(7-15-10)9-4-3-8(5-9)6-20/h3-4,7-9,20H,5-6H2,1-2H3,(H2,14,16,17)/t8-,9+/m1/s1
InChIKey
ZRHWHCUSHGSMDV-BDAKNGLRSA-N
Compound name
[(1S,4R)-4-[2-amino-6-(dimethylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

274.1542 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.16148 162.0
[M+Na]+ 297.14342 171.6
[M-H]- 273.14692 165.8
[M+NH4]+ 292.18802 177.1
[M+K]+ 313.11736 167.9
[M+H-H2O]+ 257.15146 152.7
[M+HCOO]- 319.15240 183.5
[M+CH3COO]- 333.16805 173.6
[M+Na-2H]- 295.12887 164.3
[M]+ 274.15365 163.5
[M]- 274.15475 163.5
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