CID 66545092

Ethyl 7h-pyrrolo[2,3-d]pyrimidine-4-carboxylate

Structural Information

Molecular Formula
C9H9N3O2
SMILES
CCOC(=O)C1=C2C=CNC2=NC=N1
InChI
InChI=1S/C9H9N3O2/c1-2-14-9(13)7-6-3-4-10-8(6)12-5-11-7/h3-5H,2H2,1H3,(H,10,11,12)
InChIKey
WNWIDMDDPSFGQP-UHFFFAOYSA-N
Compound name
ethyl 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

191.06947 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.076746 138.6
[M+Na]+ 214.058688 149.0
[M-H]- 190.062194 138.5
[M+NH4]+ 209.103293 156.5
[M+K]+ 230.032628 145.9
[M+H-H2O]+ 174.066730 131.0
[M+HCOO]- 236.067671 159.5
[M+CH3COO]- 250.083321 178.7
[M+Na-2H]- 212.044136 146.0
[M]+ 191.06892142 141.1
[M]- 191.07001858 141.1
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

patents stripe