CID 139597686

(4s)-2-(4-bromophenyl)-4-(1-methylethyl)-3-(1-oxopentyl)-5-oxazolidinone

Structural Information

Molecular Formula
C17H22BrNO3
SMILES
CCCCC(=O)N1[C@H](C(=O)OC1C2=CC=C(C=C2)Br)C(C)C
InChI
InChI=1S/C17H22BrNO3/c1-4-5-6-14(20)19-15(11(2)3)17(21)22-16(19)12-7-9-13(18)10-8-12/h7-11,15-16H,4-6H2,1-3H3/t15-,16?/m0/s1
InChIKey
WOAMFBOLOWOMMK-VYRBHSGPSA-N
Compound name
(4S)-2-(4-bromophenyl)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.0783 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.08558 181.8
[M+Na]+ 390.06752 191.6
[M-H]- 366.07102 190.1
[M+NH4]+ 385.11212 197.7
[M+K]+ 406.04146 181.3
[M+H-H2O]+ 350.07556 180.6
[M+HCOO]- 412.07650 197.6
[M+CH3COO]- 426.09215 212.9
[M+Na-2H]- 388.05297 180.6
[M]+ 367.07775 202.6
[M]- 367.07885 202.6
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

No patent data available for this compound.