CID 5565983

Brn 5544252

Structural Information

Molecular Formula
C11H13ClN4
SMILES
C1CCN(CC1)C2=NC(=NC3=C2NC=C3)Cl
InChI
InChI=1S/C11H13ClN4/c12-11-14-8-4-5-13-9(8)10(15-11)16-6-2-1-3-7-16/h4-5,13H,1-3,6-7H2
InChIKey
UIEWMRXYDCBIOT-UHFFFAOYSA-N
Compound name
2-chloro-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.08287 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.09015 151.5
[M+Na]+ 259.07209 160.8
[M-H]- 235.07559 151.9
[M+NH4]+ 254.11669 166.5
[M+K]+ 275.04603 154.3
[M+H-H2O]+ 219.08013 141.7
[M+HCOO]- 281.08107 162.8
[M+CH3COO]- 295.09672 162.1
[M+Na-2H]- 257.05754 156.4
[M]+ 236.08232 148.9
[M]- 236.08342 148.9
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.