CID 165705475

7-bromo-2-chloro-4-methoxy-5h-pyrrolo[3,2-d]pyrimidine

Structural Information

Molecular Formula
C7H5BrClN3O
SMILES
COC1=NC(=NC2=C1NC=C2Br)Cl
InChI
InChI=1S/C7H5BrClN3O/c1-13-6-5-4(3(8)2-10-5)11-7(9)12-6/h2,10H,1H3
InChIKey
FSRVJNRWGHXUQD-UHFFFAOYSA-N
Compound name
7-bromo-2-chloro-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.93045 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.93773 140.6
[M+Na]+ 283.91967 157.3
[M-H]- 259.92317 143.9
[M+NH4]+ 278.96427 161.0
[M+K]+ 299.89361 144.2
[M+H-H2O]+ 243.92771 140.6
[M+HCOO]- 305.92865 156.0
[M+CH3COO]- 319.94430 156.2
[M+Na-2H]- 281.90512 149.4
[M]+ 260.92990 163.2
[M]- 260.93100 163.2
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.

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No patent data available for this compound.