CID 510436

Chembl48444

Structural Information

Molecular Formula
C10H13N5O
SMILES
CCCN1C=C(C2=C(N=CN=C21)N)C(=O)N
InChI
InChI=1S/C10H13N5O/c1-2-3-15-4-6(9(12)16)7-8(11)13-5-14-10(7)15/h4-5H,2-3H2,1H3,(H2,12,16)(H2,11,13,14)
InChIKey
WAOCPDXHVZWRIJ-UHFFFAOYSA-N
Compound name
4-amino-7-propylpyrrolo[2,3-d]pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

219.11201 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.119286 148.0
[M+Na]+ 242.101228 158.4
[M-H]- 218.104734 148.9
[M+NH4]+ 237.145833 164.8
[M+K]+ 258.075168 154.6
[M+H-H2O]+ 202.109270 139.9
[M+HCOO]- 264.110211 170.6
[M+CH3COO]- 278.125861 193.9
[M+Na-2H]- 240.086676 152.9
[M]+ 219.11146142 148.7
[M]- 219.11255858 148.7
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.