CID 11346837

(s)-4-(4-(5-(aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one

Structural Information

Molecular Formula
C14H17N3O4
SMILES
C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CN
InChI
InChI=1S/C14H17N3O4/c15-7-12-8-17(14(19)21-12)11-3-1-10(2-4-11)16-5-6-20-9-13(16)18/h1-4,12H,5-9,15H2/t12-/m0/s1
InChIKey
DEXXSYVEWAYIGZ-LBPRGKRZSA-N
Compound name
4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

327
Patents

291.12192 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.12920 167.4
[M+Na]+ 314.11114 173.4
[M-H]- 290.11464 174.9
[M+NH4]+ 309.15574 178.2
[M+K]+ 330.08508 172.0
[M+H-H2O]+ 274.11918 158.2
[M+HCOO]- 336.12012 183.7
[M+CH3COO]- 350.13577 201.6
[M+Na-2H]- 312.09659 168.0
[M]+ 291.12137 164.0
[M]- 291.12247 164.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe