CID 485685

Schembl8139928

Structural Information

Molecular Formula

C₁₇H₁₈N₄O₄

SMILES

CCC(=O)NC[C@H]1CN(C(=O)O1)C2=CC3=C(C=C2)N4C=CN=C4CO3

InChI

InChI=1S/C17H18N4O4/c1-2-16(22)19-8-12-9-21(17(23)25-12)11-3-4-13-14(7-11)24-10-15-18-5-6-20(13)15/h3-7,12H,2,8-10H2,1H3,(H,19,22)/t12-/m0/s1

InChIKey

JIBDAMMHYDKEQQ-LBPRGKRZSA-N

Compound name

N-[[(5S)-3-(4H-imidazo[2,1-c][1,4]benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 342.1328 Da
Monoisotopic Mass: 0.6
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]+	343.140076	178.7
[M+Na]+	365.122018	186.1
[M-H]-	341.125524	184.7
[M+NH4]+	360.166623	190.4
[M+K]+	381.095958	184.3
[M+H-H2O]+	325.130060	170.3
[M+HCOO]-	387.131001	194.0
[M+CH3COO]-	401.146651	188.8
[M+Na-2H]-	363.107466	179.8
[M]+	342.13225142	180.9
[M]-	342.13334858	180.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe