CID 91205

Brn 0899806

Structural Information

Molecular Formula
C13H17N5O5
SMILES
CC(=O)N1CCN(CC1)CC(=O)NN=CC2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C13H17N5O5/c1-10(19)17-6-4-16(5-7-17)9-12(20)15-14-8-11-2-3-13(23-11)18(21)22/h2-3,8H,4-7,9H2,1H3,(H,15,20)
InChIKey
IOYQQPACAXCJIN-UHFFFAOYSA-N
Compound name
2-(4-acetylpiperazin-1-yl)-N-[(5-nitrofuran-2-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.12296 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.13024 170.5
[M+Na]+ 346.11218 177.8
[M+NH4]+ 341.15678 174.2
[M+K]+ 362.08612 179.7
[M-H]- 322.11568 173.4
[M+Na-2H]- 344.09763 172.6
[M]+ 323.12241 171.5
[M]- 323.12351 171.5
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.