CID 510429

Chembl353648

Structural Information

Molecular Formula
C10H13N5O2
SMILES
CCOCN1C=C(C2=C(N=CN=C21)N)C(=O)N
InChI
InChI=1S/C10H13N5O2/c1-2-17-5-15-3-6(9(12)16)7-8(11)13-4-14-10(7)15/h3-4H,2,5H2,1H3,(H2,12,16)(H2,11,13,14)
InChIKey
PLFMTTBVALKHIP-UHFFFAOYSA-N
Compound name
4-amino-7-(ethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

235.10692 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.11420 150.4
[M+Na]+ 258.09614 160.6
[M-H]- 234.09964 151.3
[M+NH4]+ 253.14074 166.4
[M+K]+ 274.07008 157.4
[M+H-H2O]+ 218.10418 142.1
[M+HCOO]- 280.10512 173.2
[M+CH3COO]- 294.12077 196.2
[M+Na-2H]- 256.08159 155.4
[M]+ 235.10637 152.5
[M]- 235.10747 152.5
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.