CID 135966786

2-(pyridin-2-yl)-3h,4h,5h,6h,7h-cyclopenta[d]pyrimidin-4-one

Structural Information

Molecular Formula
C12H11N3O
SMILES
C1CC2=C(C1)N=C(NC2=O)C3=CC=CC=N3
InChI
InChI=1S/C12H11N3O/c16-12-8-4-3-6-9(8)14-11(15-12)10-5-1-2-7-13-10/h1-2,5,7H,3-4,6H2,(H,14,15,16)
InChIKey
ZNIZXJGXUOXDQR-UHFFFAOYSA-N
Compound name
2-pyridin-2-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

213.09021 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.097486 145.6
[M+Na]+ 236.079428 155.1
[M-H]- 212.082934 148.2
[M+NH4]+ 231.124033 162.2
[M+K]+ 252.053368 149.8
[M+H-H2O]+ 196.087470 136.8
[M+HCOO]- 258.088411 164.7
[M+CH3COO]- 272.104061 157.7
[M+Na-2H]- 234.064876 151.9
[M]+ 213.08966142 143.3
[M]- 213.09075858 143.3
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

patents stripe