CID 6479540

5-nitro-2-[(e)-2-(2-quinolyl)vinyl]thiazole

Structural Information

Molecular Formula
C14H9N3O2S
SMILES
C1=CC=C2C(=C1)C=CC(=N2)/C=C/C3=NC=C(S3)[N+](=O)[O-]
InChI
InChI=1S/C14H9N3O2S/c18-17(19)14-9-15-13(20-14)8-7-11-6-5-10-3-1-2-4-12(10)16-11/h1-9H/b8-7+
InChIKey
YZGQEEPQXNPRSL-BQYQJAHWSA-N
Compound name
5-nitro-2-[(E)-2-quinolin-2-ylethenyl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.04153 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.04881 160.6
[M+Na]+ 306.03075 170.2
[M-H]- 282.03425 166.7
[M+NH4]+ 301.07535 176.2
[M+K]+ 322.00469 160.2
[M+H-H2O]+ 266.03879 156.9
[M+HCOO]- 328.03973 180.6
[M+CH3COO]- 342.05538 190.7
[M+Na-2H]- 304.01620 167.3
[M]+ 283.04098 162.1
[M]- 283.04208 162.1
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.