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]+ 246.938066 138.0
[M+Na]+ 268.920008 154.3
[M-H]- 244.923514 140.9
[M+NH4]+ 263.964613 158.3
[M+K]+ 284.893948 140.2
[M+H-H2O]+ 228.928050 137.6
[M+HCOO]- 290.928991 153.8
[M+CH3COO]- 304.944641 153.2
[M+Na-2H]- 266.905456 146.7
[M]+ 245.93024142 157.3
[M]- 245.93133858 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.