CID 9578686

37853-14-8

Structural Information

Molecular Formula
C14H9N3O3S
SMILES
C1=CC=C(C=C1)C2=NOC(=C2)/N=C/C3=CSC(=C3)[N+](=O)[O-]
InChI
InChI=1S/C14H9N3O3S/c18-17(19)14-6-10(9-21-14)8-15-13-7-12(16-20-13)11-4-2-1-3-5-11/h1-9H/b15-8+
InChIKey
ZPMLHLSIKUTESD-OVCLIPMQSA-N
Compound name
(E)-1-(5-nitrothiophen-3-yl)-N-(3-phenyl-1,2-oxazol-5-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.03647 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.04375 162.5
[M+Na]+ 322.02569 176.7
[M+NH4]+ 317.07029 170.8
[M+K]+ 337.99963 174.0
[M-H]- 298.02919 170.8
[M+Na-2H]- 320.01114 171.8
[M]+ 299.03592 167.2
[M]- 299.03702 167.2
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.