CID 22661751

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

Structural Information

Molecular Formula
C6H5ClN4
SMILES
C1=CNC2=C1N=C(N=C2N)Cl
InChI
InChI=1S/C6H5ClN4/c7-6-10-3-1-2-9-4(3)5(8)11-6/h1-2,9H,(H2,8,10,11)
InChIKey
WOBLTXNSFKDMLD-UHFFFAOYSA-N
Compound name
2-chloro-5H-pyrrolo[3,2-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

168.02028 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.02756 129.7
[M+Na]+ 191.00950 142.2
[M-H]- 167.01300 129.4
[M+NH4]+ 186.05410 149.2
[M+K]+ 206.98344 136.7
[M+H-H2O]+ 151.01754 123.0
[M+HCOO]- 213.01848 147.6
[M+CH3COO]- 227.03413 143.4
[M+Na-2H]- 188.99495 138.0
[M]+ 168.01973 130.1
[M]- 168.02083 130.1
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

patents stripe