CID 9554030

2-oxazolidinone, 5-((2,4-dimethyl-1-piperazinyl)methyl)-3-((5-nitro-2-furfurylidene)amino)-

Structural Information

Molecular Formula
C15H21N5O5
SMILES
CC1CN(CCN1CC2CN(C(=O)O2)/N=C/C3=CC=C(O3)[N+](=O)[O-])C
InChI
InChI=1S/C15H21N5O5/c1-11-8-17(2)5-6-18(11)9-13-10-19(15(21)25-13)16-7-12-3-4-14(24-12)20(22)23/h3-4,7,11,13H,5-6,8-10H2,1-2H3/b16-7+
InChIKey
UNPLJKONDXUTJW-FRKPEAEDSA-N
Compound name
5-[(2,4-dimethylpiperazin-1-yl)methyl]-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.15427 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.161546 183.4
[M+Na]+ 374.143488 187.6
[M-H]- 350.146994 191.8
[M+NH4]+ 369.188093 192.3
[M+K]+ 390.117428 183.1
[M+H-H2O]+ 334.151530 178.6
[M+HCOO]- 396.152471 201.4
[M+CH3COO]- 410.168121 210.3
[M+Na-2H]- 372.128936 184.5
[M]+ 351.15372142 181.4
[M]- 351.15481858 181.4
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.