CID 3043218

55243-76-0

Structural Information

Molecular Formula
C16H20N2O3
SMILES
C1CCCN(CC1)C(=O)N2CC(OC2=O)C3=CC=CC=C3
InChI
InChI=1S/C16H20N2O3/c19-15(17-10-6-1-2-7-11-17)18-12-14(21-16(18)20)13-8-4-3-5-9-13/h3-5,8-9,14H,1-2,6-7,10-12H2
InChIKey
FXAAIGGEVDXHIL-UHFFFAOYSA-N
Compound name
3-(azepane-1-carbonyl)-5-phenyl-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1474 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.15468 165.8
[M+Na]+ 311.13662 168.5
[M-H]- 287.14012 173.3
[M+NH4]+ 306.18122 177.3
[M+K]+ 327.11056 170.2
[M+H-H2O]+ 271.14466 156.3
[M+HCOO]- 333.14560 180.4
[M+CH3COO]- 347.16125 175.1
[M+Na-2H]- 309.12207 165.2
[M]+ 288.14685 158.2
[M]- 288.14795 158.2
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.