CID 485675

N-[((5s)-3-benzo[3,4-b]pyrrolidino[1,2-d]morpholin-7-yl-2-oxo-1,3-oxazolidin-5-yl)methyl]acetamide

Structural Information

Molecular Formula
C17H21N3O4
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC3=C(C=C2)N4CCCC4CO3
InChI
InChI=1S/C17H21N3O4/c1-11(21)18-8-14-9-20(17(22)24-14)12-4-5-15-16(7-12)23-10-13-3-2-6-19(13)15/h4-5,7,13-14H,2-3,6,8-10H2,1H3,(H,18,21)/t13?,14-/m0/s1
InChIKey
UMVLBDCDGWTXAE-KZUDCZAMSA-N
Compound name
N-[[(5S)-3-(2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1532 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.16048 176.5
[M+Na]+ 354.14242 182.0
[M-H]- 330.14592 183.0
[M+NH4]+ 349.18702 189.9
[M+K]+ 370.11636 180.5
[M+H-H2O]+ 314.15046 169.2
[M+HCOO]- 376.15140 190.2
[M+CH3COO]- 390.16705 186.2
[M+Na-2H]- 352.12787 176.1
[M]+ 331.15265 175.4
[M]- 331.15375 175.4
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.