CID 9554107

Pm 379

Structural Information

Molecular Formula
C17H25N5O5
SMILES
CCCCN1CCN(CC1)CC2CN(C(=O)O2)/N=C/C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C17H25N5O5/c1-2-3-6-19-7-9-20(10-8-19)12-15-13-21(17(23)27-15)18-11-14-4-5-16(26-14)22(24)25/h4-5,11,15H,2-3,6-10,12-13H2,1H3/b18-11+
InChIKey
IUZPTAUNRJJBPR-WOJGMQOQSA-N
Compound name
5-[(4-butylpiperazin-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

379.18558 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.19286 191.6
[M+Na]+ 402.17480 194.0
[M-H]- 378.17830 199.2
[M+NH4]+ 397.21940 199.0
[M+K]+ 418.14874 189.1
[M+H-H2O]+ 362.18284 186.0
[M+HCOO]- 424.18378 209.0
[M+CH3COO]- 438.19943 215.0
[M+Na-2H]- 400.16025 192.3
[M]+ 379.18503 189.8
[M]- 379.18613 189.8
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.