CID 510427

Chembl50996

Structural Information

Molecular Formula
C10H11N5
SMILES
CCCN1C=C(C2=C(N=CN=C21)N)C#N
InChI
InChI=1S/C10H11N5/c1-2-3-15-5-7(4-11)8-9(12)13-6-14-10(8)15/h5-6H,2-3H2,1H3,(H2,12,13,14)
InChIKey
LREZFAPRFZCPBY-UHFFFAOYSA-N
Compound name
4-amino-7-propylpyrrolo[2,3-d]pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

201.10144 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.10872 142.9
[M+Na]+ 224.09066 155.1
[M-H]- 200.09416 142.5
[M+NH4]+ 219.13526 158.6
[M+K]+ 240.06460 150.3
[M+H-H2O]+ 184.09870 127.7
[M+HCOO]- 246.09964 161.5
[M+CH3COO]- 260.11529 154.1
[M+Na-2H]- 222.07611 148.5
[M]+ 201.10089 139.3
[M]- 201.10199 139.3
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.