CID 96635081

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

Structural Information

Molecular Formula
C7H13N3O
SMILES
C1CNC[C@@H]2[C@@H]1NC(=O)NC2
InChI
InChI=1S/C7H13N3O/c11-7-9-4-5-3-8-2-1-6(5)10-7/h5-6,8H,1-4H2,(H2,9,10,11)/t5-,6+/m0/s1
InChIKey
FDMCHLIWKHORRD-NTSWFWBYSA-N
Compound name
(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-pyrido[4,3-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]+ 156.113146 136.6
[M+Na]+ 178.095088 141.2
[M-H]- 154.098594 131.5
[M+NH4]+ 173.139693 152.0
[M+K]+ 194.069028 136.8
[M+H-H2O]+ 138.103130 129.3
[M+HCOO]- 200.104071 146.3
[M+CH3COO]- 214.119721 145.5
[M+Na-2H]- 176.080536 141.6
[M]+ 155.10532142 124.6
[M]- 155.10641858 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.