CID 165987862

Rac-(4ar,8as)-decahydropyrido[3,4-d]pyrimidin-2-one

Structural Information

Molecular Formula
C7H13N3O
SMILES
C1CNC[C@H]2[C@@H]1CNC(=O)N2
InChI
InChI=1S/C7H13N3O/c11-7-9-3-5-1-2-8-4-6(5)10-7/h5-6,8H,1-4H2,(H2,9,10,11)/t5-,6-/m0/s1
InChIKey
QOKQCHFUXVEDOX-WDSKDSINSA-N
Compound name
(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-pyrido[3,4-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.10587 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.11315 136.6
[M+Na]+ 178.09509 141.2
[M-H]- 154.09859 131.5
[M+NH4]+ 173.13969 152.0
[M+K]+ 194.06903 136.8
[M+H-H2O]+ 138.10313 129.3
[M+HCOO]- 200.10407 146.3
[M+CH3COO]- 214.11972 145.5
[M+Na-2H]- 176.08054 141.6
[M]+ 155.10532 124.6
[M]- 155.10642 124.6
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.