CID 9570393

Brn 0897827

Structural Information

Molecular Formula
C14H21N5O4
SMILES
CC(C)N1CCN(CC1)CC(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C14H21N5O4/c1-11(2)18-7-5-17(6-8-18)10-13(20)16-15-9-12-3-4-14(23-12)19(21)22/h3-4,9,11H,5-8,10H2,1-2H3,(H,16,20)/b15-9+
InChIKey
LYFYXKGHAQOPTP-OQLLNIDSSA-N
Compound name
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-propan-2-ylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.15936 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.16664 174.9
[M+Na]+ 346.14858 176.9
[M-H]- 322.15208 180.1
[M+NH4]+ 341.19318 185.3
[M+K]+ 362.12252 172.4
[M+H-H2O]+ 306.15662 169.7
[M+HCOO]- 368.15756 195.5
[M+CH3COO]- 382.17321 207.2
[M+Na-2H]- 344.13403 178.3
[M]+ 323.15881 171.6
[M]- 323.15991 171.6
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.