CID 154630294

1922954-32-2

Structural Information

Molecular Formula
C13H14BrN3O2
SMILES
CC1=C(C(=O)N(C2=C1C=NC(=O)N2)C3CCCC3)Br
InChI
InChI=1S/C13H14BrN3O2/c1-7-9-6-15-13(19)16-11(9)17(12(18)10(7)14)8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,15,16,19)
InChIKey
NMGXNMVHGSBKGT-UHFFFAOYSA-N
Compound name
6-bromo-8-cyclopentyl-5-methyl-1H-pyrido[2,3-d]pyrimidine-2,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.02695 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.03423 168.9
[M+Na]+ 346.01617 172.8
[M+NH4]+ 341.06077 172.1
[M+K]+ 361.99011 174.0
[M-H]- 322.01967 168.9
[M+Na-2H]- 344.00162 170.3
[M]+ 323.02640 168.1
[M]- 323.02750 168.1
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

No patent data available for this compound.