CID 9570395

Brn 0901628

Structural Information

Molecular Formula
C18H21N5O4
SMILES
C1CN(CCN1CC2=CC=CC=C2)CC(=O)N/N=C/C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C18H21N5O4/c24-17(20-19-12-16-6-7-18(27-16)23(25)26)14-22-10-8-21(9-11-22)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H,20,24)/b19-12+
InChIKey
TUBNIQQVIOAZBQ-XDHOZWIPSA-N
Compound name
2-(4-benzylpiperazin-1-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.15936 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.16664 185.0
[M+Na]+ 394.14858 194.9
[M+NH4]+ 389.19318 190.0
[M+K]+ 410.12252 194.0
[M-H]- 370.15208 191.6
[M+Na-2H]- 392.13403 190.8
[M]+ 371.15881 187.6
[M]- 371.15991 187.6
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.