CID 9570395

24637-23-8

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]+ 372.166636 185.2
[M+Na]+ 394.148578 186.5
[M-H]- 370.152084 193.2
[M+NH4]+ 389.193183 192.9
[M+K]+ 410.122518 180.0
[M+H-H2O]+ 354.156620 178.2
[M+HCOO]- 416.157561 206.6
[M+CH3COO]- 430.173211 214.4
[M+Na-2H]- 392.134026 190.0
[M]+ 371.15881142 181.3
[M]- 371.15990858 181.3
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.