CID 129981793

7-bromo-2-chloro-5h-pyrrolo[3,2-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C6H4BrClN4
SMILES
C1=C(C2=C(N1)C(=NC(=N2)Cl)N)Br
InChI
InChI=1S/C6H4BrClN4/c7-2-1-10-4-3(2)11-6(8)12-5(4)9/h1,10H,(H2,9,11,12)
InChIKey
IYOLYADQXGXUOO-UHFFFAOYSA-N
Compound name
7-bromo-2-chloro-5H-pyrrolo[3,2-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.93079 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.93807 138.0
[M+Na]+ 268.92001 154.3
[M-H]- 244.92351 140.9
[M+NH4]+ 263.96461 158.3
[M+K]+ 284.89395 140.2
[M+H-H2O]+ 228.92805 137.6
[M+HCOO]- 290.92899 153.8
[M+CH3COO]- 304.94464 153.2
[M+Na-2H]- 266.90546 146.7
[M]+ 245.93024 157.3
[M]- 245.93134 157.3
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.