CID 9578650

36146-44-8

Structural Information

Molecular Formula

C₁₈H₂₁N₅O₃

SMILES

C1CCCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)/C=N/N4CCOC4=O

InChI

InChI=1S/C18H21N5O3/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/h3,6-7,10,13H,1-2,4-5,8-9,11-12H2/b19-13+

InChIKey

FRKGTQMKDGCKBB-CPNJWEJPSA-N

Compound name

3-[(E)-[2-(azepan-1-yl)-4-oxopyrido[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: 355.16443 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	356.171706	185.3
[M+Na]+	378.153648	190.9
[M-H]-	354.157154	192.9
[M+NH4]+	373.198253	193.1
[M+K]+	394.127588	190.5
[M+H-H2O]+	338.161690	172.1
[M+HCOO]-	400.162631	199.7
[M+CH3COO]-	414.178281	193.5
[M+Na-2H]-	376.139096	186.2
[M]+	355.16388142	179.9
[M]-	355.16497858	179.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.