CID 452490

7-cn-9-(2,3-diohpr)-7-deazaa

Structural Information

Molecular Formula
C10H11N5O2
SMILES
C1=C(C2=C(N=CN=C2N1CC(CO)O)N)C#N
InChI
InChI=1S/C10H11N5O2/c11-1-6-2-15(3-7(17)4-16)10-8(6)9(12)13-5-14-10/h2,5,7,16-17H,3-4H2,(H2,12,13,14)
InChIKey
LYODPVFJQMTFNT-UHFFFAOYSA-N
Compound name
4-amino-7-(2,3-dihydroxypropyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

233.09128 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.09856 150.8
[M+Na]+ 256.08050 161.4
[M-H]- 232.08400 148.1
[M+NH4]+ 251.12510 163.8
[M+K]+ 272.05444 157.1
[M+H-H2O]+ 216.08854 136.0
[M+HCOO]- 278.08948 166.1
[M+CH3COO]- 292.10513 200.3
[M+Na-2H]- 254.06595 154.5
[M]+ 233.09073 145.7
[M]- 233.09183 145.7
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

No patent data available for this compound.