CID 9568051

Nsc 304379

Structural Information

Molecular Formula
C13H14N4O3S
SMILES
C1CCN(CC1)/N=C/C2=CSC(=N2)C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C13H14N4O3S/c18-17(19)12-5-4-11(20-12)13-15-10(9-21-13)8-14-16-6-2-1-3-7-16/h4-5,8-9H,1-3,6-7H2/b14-8+
InChIKey
QUWXPAMGCZPVGI-RIYZIHGNSA-N
Compound name
(E)-1-[2-(5-nitrofuran-2-yl)-1,3-thiazol-4-yl]-N-piperidin-1-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.07867 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.08595 167.2
[M+Na]+ 329.06789 173.5
[M-H]- 305.07139 177.1
[M+NH4]+ 324.11249 181.3
[M+K]+ 345.04183 167.3
[M+H-H2O]+ 289.07593 163.2
[M+HCOO]- 351.07687 187.6
[M+CH3COO]- 365.09252 196.7
[M+Na-2H]- 327.05334 170.5
[M]+ 306.07812 166.6
[M]- 306.07922 166.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.