CID 387538

Nsc681448

Structural Information

Molecular Formula
C12H17N3O2
SMILES
C1CC2CC1CC2NCC3=CC(=O)NC(=O)N3
InChI
InChI=1S/C12H17N3O2/c16-11-5-9(14-12(17)15-11)6-13-10-4-7-1-2-8(10)3-7/h5,7-8,10,13H,1-4,6H2,(H2,14,15,16,17)
InChIKey
WQYSLFVTKWFIES-UHFFFAOYSA-N
Compound name
6-[(2-bicyclo[2.2.1]heptanylamino)methyl]-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.13208 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.13936 150.8
[M+Na]+ 258.12130 158.1
[M-H]- 234.12480 152.0
[M+NH4]+ 253.16590 169.5
[M+K]+ 274.09524 153.0
[M+H-H2O]+ 218.12934 144.1
[M+HCOO]- 280.13028 168.9
[M+CH3COO]- 294.14593 161.8
[M+Na-2H]- 256.10675 153.3
[M]+ 235.13153 146.7
[M]- 235.13263 146.7
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.