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]+ 220.11929 148.0
[M+Na]+ 242.10123 158.4
[M-H]- 218.10473 148.9
[M+NH4]+ 237.14583 164.8
[M+K]+ 258.07517 154.6
[M+H-H2O]+ 202.10927 139.9
[M+HCOO]- 264.11021 170.6
[M+CH3COO]- 278.12586 193.9
[M+Na-2H]- 240.08668 152.9
[M]+ 219.11146 148.7
[M]- 219.11256 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.