CID 469895

Chembl435968

Structural Information

Molecular Formula
C10H11N5O
SMILES
CCOCN1C=C(C2=C(N=CN=C21)N)C#N
InChI
InChI=1S/C10H11N5O/c1-2-16-6-15-4-7(3-11)8-9(12)13-5-14-10(8)15/h4-5H,2,6H2,1H3,(H2,12,13,14)
InChIKey
YDJSOTNRJLXLAH-UHFFFAOYSA-N
Compound name
4-amino-7-(ethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

217.09636 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.10364 144.9
[M+Na]+ 240.08558 156.8
[M-H]- 216.08908 144.4
[M+NH4]+ 235.13018 159.9
[M+K]+ 256.05952 152.7
[M+H-H2O]+ 200.09362 129.5
[M+HCOO]- 262.09456 163.6
[M+CH3COO]- 276.11021 201.9
[M+Na-2H]- 238.07103 150.5
[M]+ 217.09581 142.4
[M]- 217.09691 142.4
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