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]+ 324.130236 171.8
[M+Na]+ 346.112178 174.4
[M-H]- 322.115684 177.3
[M+NH4]+ 341.156783 182.1
[M+K]+ 362.086118 170.1
[M+H-H2O]+ 306.120220 166.8
[M+HCOO]- 368.121161 193.1
[M+CH3COO]- 382.136811 204.8
[M+Na-2H]- 344.097626 176.1
[M]+ 323.12241142 168.7
[M]- 323.12350858 168.7
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.