CID 5375053

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

Structural Information

Molecular Formula
C6H3Cl2N3
SMILES
C1=CNC2=C1N=C(N=C2Cl)Cl
InChI
InChI=1S/C6H3Cl2N3/c7-5-4-3(1-2-9-4)10-6(8)11-5/h1-2,9H
InChIKey
MVTLFDKTYGKJEX-UHFFFAOYSA-N
Compound name
2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

479
Patents

186.9704 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.977676 131.1
[M+Na]+ 209.959618 144.6
[M-H]- 185.963124 130.3
[M+NH4]+ 205.004223 150.6
[M+K]+ 225.933558 138.4
[M+H-H2O]+ 169.967660 124.7
[M+HCOO]- 231.968601 143.1
[M+CH3COO]- 245.984251 144.6
[M+Na-2H]- 207.945066 138.9
[M]+ 186.96985142 133.8
[M]- 186.97094858 133.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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