CID 510435

Chembl297745

Structural Information

Molecular Formula
C10H11N5O
SMILES
C=CCN1C=C(C2=C(N=CN=C21)N)C(=O)N
InChI
InChI=1S/C10H11N5O/c1-2-3-15-4-6(9(12)16)7-8(11)13-5-14-10(7)15/h2,4-5H,1,3H2,(H2,12,16)(H2,11,13,14)
InChIKey
TVKQNFSDMVOKMW-UHFFFAOYSA-N
Compound name
4-amino-7-prop-2-enylpyrrolo[2,3-d]pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

217.09636 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.10364 147.1
[M+Na]+ 240.08558 157.8
[M-H]- 216.08908 148.1
[M+NH4]+ 235.13018 163.9
[M+K]+ 256.05952 153.4
[M+H-H2O]+ 200.09362 139.1
[M+HCOO]- 262.09456 169.9
[M+CH3COO]- 276.11021 193.1
[M+Na-2H]- 238.07103 152.0
[M]+ 217.09581 147.2
[M]- 217.09691 147.2
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.