CID 9576719

Brn 0902987

Structural Information

Molecular Formula
C17H19N5O4
SMILES
C1CN(CCN1CC(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-])C3=CC=CC=C3
InChI
InChI=1S/C17H19N5O4/c23-16(19-18-12-15-6-7-17(26-15)22(24)25)13-20-8-10-21(11-9-20)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,19,23)/b18-12+
InChIKey
CAZAGSKJTOEERZ-LDADJPATSA-N
Compound name
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-phenylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.1437 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.15098 180.6
[M+Na]+ 380.13292 190.7
[M+NH4]+ 375.17752 185.7
[M+K]+ 396.10686 190.0
[M-H]- 356.13642 187.2
[M+Na-2H]- 378.11837 186.6
[M]+ 357.14315 183.3
[M]- 357.14425 183.3
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.