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]+ 236.114196 150.4
[M+Na]+ 258.096138 160.6
[M-H]- 234.099644 151.3
[M+NH4]+ 253.140743 166.4
[M+K]+ 274.070078 157.4
[M+H-H2O]+ 218.104180 142.1
[M+HCOO]- 280.105121 173.2
[M+CH3COO]- 294.120771 196.2
[M+Na-2H]- 256.081586 155.4
[M]+ 235.10637142 152.5
[M]- 235.10746858 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.