CID 15953951

Schembl17174553

Structural Information

Molecular Formula
C14H17N5O
SMILES
C1CC1NC2=C3C(=NC=N2)N(C=N3)[C@@H]4C[C@@H](C=C4)CO
InChI
InChI=1S/C14H17N5O/c20-6-9-1-4-11(5-9)19-8-17-12-13(18-10-2-3-10)15-7-16-14(12)19/h1,4,7-11,20H,2-3,5-6H2,(H,15,16,18)/t9-,11+/m1/s1
InChIKey
HRVNMNMBPZSPKS-KOLCDFICSA-N
Compound name
[(1S,4R)-4-[6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

271.1433 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.15058 166.0
[M+Na]+ 294.13252 177.0
[M-H]- 270.13602 171.5
[M+NH4]+ 289.17712 176.0
[M+K]+ 310.10646 169.8
[M+H-H2O]+ 254.14056 157.1
[M+HCOO]- 316.14150 186.5
[M+CH3COO]- 330.15715 176.7
[M+Na-2H]- 292.11797 168.8
[M]+ 271.14275 168.5
[M]- 271.14385 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

literature stripe

Patent stripe

patents stripe