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 171.8
[M+Na]+ 346.11218 174.4
[M-H]- 322.11568 177.3
[M+NH4]+ 341.15678 182.1
[M+K]+ 362.08612 170.1
[M+H-H2O]+ 306.12022 166.8
[M+HCOO]- 368.12116 193.1
[M+CH3COO]- 382.13681 204.8
[M+Na-2H]- 344.09763 176.1
[M]+ 323.12241 168.7
[M]- 323.12351 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.