CID 135538711

7-cn-acyclic-7-deaza-dg

Structural Information

Molecular Formula
C10H11N5O3
SMILES
C1=C(C2=C(N1COCCO)N=C(NC2=O)N)C#N
InChI
InChI=1S/C10H11N5O3/c11-3-6-4-15(5-18-2-1-16)8-7(6)9(17)14-10(12)13-8/h4,16H,1-2,5H2,(H3,12,13,14,17)
InChIKey
YTXJFKGPFBCZAQ-UHFFFAOYSA-N
Compound name
2-amino-7-(2-hydroxyethoxymethyl)-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

249.08618 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.09346 152.3
[M+Na]+ 272.07540 164.0
[M-H]- 248.07890 149.9
[M+NH4]+ 267.12000 164.9
[M+K]+ 288.04934 159.4
[M+H-H2O]+ 232.08344 137.6
[M+HCOO]- 294.08438 168.8
[M+CH3COO]- 308.10003 202.1
[M+Na-2H]- 270.06085 156.4
[M]+ 249.08563 148.8
[M]- 249.08673 148.8
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.