CID 176866

Acitemate

Structural Information

Molecular Formula
C14H18N2O5
SMILES
CCOC(=O)C1=CN=C2[C@@H](CC[C@@H](N2C1=O)C)CC(=O)O
InChI
InChI=1S/C14H18N2O5/c1-3-21-14(20)10-7-15-12-9(6-11(17)18)5-4-8(2)16(12)13(10)19/h7-9H,3-6H2,1-2H3,(H,17,18)/t8-,9-/m0/s1
InChIKey
IRGLQUMAHASUTG-IUCAKERBSA-N
Compound name
2-[(6S,9S)-3-ethoxycarbonyl-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

676
Patents

294.12158 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.128856 164.4
[M+Na]+ 317.110798 172.1
[M-H]- 293.114304 164.8
[M+NH4]+ 312.155403 177.6
[M+K]+ 333.084738 169.7
[M+H-H2O]+ 277.118840 156.8
[M+HCOO]- 339.119781 179.6
[M+CH3COO]- 353.135431 201.6
[M+Na-2H]- 315.096246 166.0
[M]+ 294.12103142 166.6
[M]- 294.12212858 166.6
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.