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 164.3
[M+Na]+ 346.01617 177.7
[M-H]- 322.01967 170.1
[M+NH4]+ 341.06077 181.1
[M+K]+ 361.99011 164.8
[M+H-H2O]+ 306.02421 162.9
[M+HCOO]- 368.02515 179.9
[M+CH3COO]- 382.04080 177.5
[M+Na-2H]- 344.00162 168.0
[M]+ 323.02640 181.7
[M]- 323.02750 181.7
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.