CID 3021843

Brn 0800267

Structural Information

Molecular Formula
C12H14N2O3
SMILES
CC1C(=O)N(C(=O)O1)CCC2=CC=C(C=C2)N
InChI
InChI=1S/C12H14N2O3/c1-8-11(15)14(12(16)17-8)7-6-9-2-4-10(13)5-3-9/h2-5,8H,6-7,13H2,1H3
InChIKey
CXFTUDNPVWUFGC-UHFFFAOYSA-N
Compound name
3-[2-(4-aminophenyl)ethyl]-5-methyl-1,3-oxazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.10045 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10773 151.4
[M+Na]+ 257.08967 160.0
[M-H]- 233.09317 157.5
[M+NH4]+ 252.13427 168.2
[M+K]+ 273.06361 157.9
[M+H-H2O]+ 217.09771 144.3
[M+HCOO]- 279.09865 173.5
[M+CH3COO]- 293.11430 192.8
[M+Na-2H]- 255.07512 153.4
[M]+ 234.09990 151.6
[M]- 234.10100 151.6
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

patents stripe