CID 3040570

5-(diisobutylamino)methyl-3-phenyl-2-oxazolidone hydrobromide

Structural Information

Molecular Formula
C18H28N2O2
SMILES
CC(C)CN(CC1CN(C(=O)O1)C2=CC=CC=C2)CC(C)C
InChI
InChI=1S/C18H28N2O2/c1-14(2)10-19(11-15(3)4)12-17-13-20(18(21)22-17)16-8-6-5-7-9-16/h5-9,14-15,17H,10-13H2,1-4H3
InChIKey
ZSMLZAVMKXCXRN-UHFFFAOYSA-N
Compound name
5-[[bis(2-methylpropyl)amino]methyl]-3-phenyl-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.2151 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.22238 177.7
[M+Na]+ 327.20432 181.3
[M-H]- 303.20782 184.1
[M+NH4]+ 322.24892 191.9
[M+K]+ 343.17826 180.6
[M+H-H2O]+ 287.21236 169.2
[M+HCOO]- 349.21330 196.5
[M+CH3COO]- 363.22895 212.8
[M+Na-2H]- 325.18977 175.8
[M]+ 304.21455 179.5
[M]- 304.21565 179.5
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.