CID 9578690

37853-19-3

Structural Information

Molecular Formula
C12H7N3O4S
SMILES
C1=COC(=C1)C2=NOC(=C2)/N=C/C3=CC=C(S3)[N+](=O)[O-]
InChI
InChI=1S/C12H7N3O4S/c16-15(17)12-4-3-8(20-12)7-13-11-6-9(14-19-11)10-2-1-5-18-10/h1-7H/b13-7+
InChIKey
FBALNLGXLFLSFQ-NTUHNPAUSA-N
Compound name
(E)-N-[3-(furan-2-yl)-1,2-oxazol-5-yl]-1-(5-nitrothiophen-2-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.01572 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.02300 159.1
[M+Na]+ 312.00494 171.6
[M+NH4]+ 307.04954 166.7
[M+K]+ 327.97888 172.6
[M-H]- 288.00844 167.4
[M+Na-2H]- 309.99039 166.2
[M]+ 289.01517 163.5
[M]- 289.01627 163.5
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.