CID 16228841

2-amino-4-methoxy-7-methyl-7h-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

Structural Information

Molecular Formula
C9H10N4O3
SMILES
CN1C(=CC2=C1N=C(N=C2OC)N)C(=O)O
InChI
InChI=1S/C9H10N4O3/c1-13-5(8(14)15)3-4-6(13)11-9(10)12-7(4)16-2/h3H,1-2H3,(H,14,15)(H2,10,11,12)
InChIKey
ACTUWXJIXYKPJY-UHFFFAOYSA-N
Compound name
2-amino-4-methoxy-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.07529 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.08257 145.9
[M+Na]+ 245.06451 157.8
[M-H]- 221.06801 146.5
[M+NH4]+ 240.10911 162.6
[M+K]+ 261.03845 154.9
[M+H-H2O]+ 205.07255 138.7
[M+HCOO]- 267.07349 167.3
[M+CH3COO]- 281.08914 189.6
[M+Na-2H]- 243.04996 150.6
[M]+ 222.07474 149.4
[M]- 222.07584 149.4
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.