CID 9588048

Brn 1178072

Structural Information

Molecular Formula
C18H25N5O3
SMILES
C1CCCN(CC1)C2=C(C(=O)N3CCCCC3=N2)/C=N/N4CCOC4=O
InChI
InChI=1S/C18H25N5O3/c24-17-14(13-19-23-11-12-26-18(23)25)16(21-8-4-1-2-5-9-21)20-15-7-3-6-10-22(15)17/h13H,1-12H2/b19-13+
InChIKey
IAZZDDUOYYMTCL-CPNJWEJPSA-N
Compound name
3-[(E)-[2-(azepan-1-yl)-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.19574 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.20302 187.1
[M+Na]+ 382.18496 190.6
[M-H]- 358.18846 193.8
[M+NH4]+ 377.22956 194.5
[M+K]+ 398.15890 190.4
[M+H-H2O]+ 342.19300 173.6
[M+HCOO]- 404.19394 198.8
[M+CH3COO]- 418.20959 194.2
[M+Na-2H]- 380.17041 186.1
[M]+ 359.19519 179.0
[M]- 359.19629 179.0
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.