CID 452486

7-cn-7-deaza-acyclo-da

Structural Information

Molecular Formula
C10H11N5O2
SMILES
C1=C(C2=C(N=CN=C2N1COCCO)N)C#N
InChI
InChI=1S/C10H11N5O2/c11-3-7-4-15(6-17-2-1-16)10-8(7)9(12)13-5-14-10/h4-5,16H,1-2,6H2,(H2,12,13,14)
InChIKey
VBCZUGRDGSUCKV-UHFFFAOYSA-N
Compound name
4-amino-7-(2-hydroxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

233.09128 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.09856 147.8
[M+Na]+ 256.08050 159.1
[M-H]- 232.08400 146.2
[M+NH4]+ 251.12510 161.5
[M+K]+ 272.05444 155.0
[M+H-H2O]+ 216.08854 132.6
[M+HCOO]- 278.08948 165.4
[M+CH3COO]- 292.10513 201.6
[M+Na-2H]- 254.06595 153.1
[M]+ 233.09073 145.0
[M]- 233.09183 145.0
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