CID 91204

Brn 0902896

Structural Information

Molecular Formula
C16H24N6O5
SMILES
CCN(CC)C(=O)N1CCN(CC1)CC(=O)NN=CC2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C16H24N6O5/c1-3-20(4-2)16(24)21-9-7-19(8-10-21)12-14(23)18-17-11-13-5-6-15(27-13)22(25)26/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,18,23)
InChIKey
VKVXZTDIZODPAP-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-[2-[2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.18082 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.18810 188.3
[M+Na]+ 403.17004 188.8
[M-H]- 379.17354 194.7
[M+NH4]+ 398.21464 196.6
[M+K]+ 419.14398 185.4
[M+H-H2O]+ 363.17808 182.3
[M+HCOO]- 425.17902 210.1
[M+CH3COO]- 439.19467 221.5
[M+Na-2H]- 401.15549 191.3
[M]+ 380.18027 186.6
[M]- 380.18137 186.6
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.