CID 129968534

2,4-dichloro-5h-pyrrolo[3,2-d]pyrimidine-7-carbaldehyde

Structural Information

Molecular Formula
C7H3Cl2N3O
SMILES
C1=C(C2=C(N1)C(=NC(=N2)Cl)Cl)C=O
InChI
InChI=1S/C7H3Cl2N3O/c8-6-5-4(11-7(9)12-6)3(2-13)1-10-5/h1-2,10H
InChIKey
KYZQNJGJRBJAFK-UHFFFAOYSA-N
Compound name
2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.96532 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.97260 138.0
[M+Na]+ 237.95454 152.1
[M-H]- 213.95804 137.5
[M+NH4]+ 232.99914 156.5
[M+K]+ 253.92848 145.6
[M+H-H2O]+ 197.96258 131.7
[M+HCOO]- 259.96352 150.1
[M+CH3COO]- 273.97917 151.3
[M+Na-2H]- 235.93999 144.5
[M]+ 214.96477 142.1
[M]- 214.96587 142.1
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

No patent data available for this compound.