CID 510426

Chembl52038

Structural Information

Molecular Formula
C10H9N5
SMILES
C=CCN1C=C(C2=C(N=CN=C21)N)C#N
InChI
InChI=1S/C10H9N5/c1-2-3-15-5-7(4-11)8-9(12)13-6-14-10(8)15/h2,5-6H,1,3H2,(H2,12,13,14)
InChIKey
XEHAHBDKQIZVCX-UHFFFAOYSA-N
Compound name
4-amino-7-prop-2-enylpyrrolo[2,3-d]pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

199.0858 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.09308 143.3
[M+Na]+ 222.07502 155.7
[M-H]- 198.07852 142.9
[M+NH4]+ 217.11962 159.0
[M+K]+ 238.04896 150.4
[M+H-H2O]+ 182.08306 128.2
[M+HCOO]- 244.08400 162.0
[M+CH3COO]- 258.09965 154.5
[M+Na-2H]- 220.06047 148.7
[M]+ 199.08525 139.0
[M]- 199.08635 139.0
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

No patent data available for this compound.