CID 9578695

37853-26-2

Structural Information

Molecular Formula
C12H7N3O3S2
SMILES
C1=CSC(=C1)C2=NOC(=C2)/N=C/C3=CSC(=C3)[N+](=O)[O-]
InChI
InChI=1S/C12H7N3O3S2/c16-15(17)12-4-8(7-20-12)6-13-11-5-9(14-18-11)10-2-1-3-19-10/h1-7H/b13-6+
InChIKey
YPSNYBCDKSISSW-AWNIVKPZSA-N
Compound name
(E)-1-(5-nitrothiophen-3-yl)-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.9929 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.00018 168.5
[M+Na]+ 327.98212 179.0
[M-H]- 303.98562 181.4
[M+NH4]+ 323.02672 186.6
[M+K]+ 343.95606 172.4
[M+H-H2O]+ 287.99016 167.2
[M+HCOO]- 349.99110 190.1
[M+CH3COO]- 364.00675 195.1
[M+Na-2H]- 325.96757 170.7
[M]+ 304.99235 173.0
[M]- 304.99345 173.0
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.