CID 9570487

Brn 0897828

Structural Information

Molecular Formula
C14H21N5O4
SMILES
CCCN1CCN(CC1)CC(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C14H21N5O4/c1-2-5-17-6-8-18(9-7-17)11-13(20)16-15-10-12-3-4-14(23-12)19(21)22/h3-4,10H,2,5-9,11H2,1H3,(H,16,20)/b15-10+
InChIKey
XNTLMQPDSQCANY-XNTDXEJSSA-N
Compound name
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-propylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.15936 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.16664 174.7
[M+Na]+ 346.14858 177.0
[M-H]- 322.15208 179.8
[M+NH4]+ 341.19318 185.2
[M+K]+ 362.12252 171.9
[M+H-H2O]+ 306.15662 169.3
[M+HCOO]- 368.15756 196.3
[M+CH3COO]- 382.17321 206.4
[M+Na-2H]- 344.13403 179.3
[M]+ 323.15881 172.0
[M]- 323.15991 172.0
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.