CID 6479538

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

Structural Information

Molecular Formula
C10H7N3O2S
SMILES
C1=CC=NC(=C1)/C=C/C2=NC=C(S2)[N+](=O)[O-]
InChI
InChI=1S/C10H7N3O2S/c14-13(15)10-7-12-9(16-10)5-4-8-3-1-2-6-11-8/h1-7H/b5-4+
InChIKey
ZVDMODPAPVXTFV-SNAWJCMRSA-N
Compound name
5-nitro-2-[(E)-2-pyridin-2-ylethenyl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

233.0259 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.03318 148.1
[M+Na]+ 256.01512 156.4
[M-H]- 232.01862 153.0
[M+NH4]+ 251.05972 164.6
[M+K]+ 271.98906 148.2
[M+H-H2O]+ 216.02316 144.7
[M+HCOO]- 278.02410 168.2
[M+CH3COO]- 292.03975 180.1
[M+Na-2H]- 254.00057 153.3
[M]+ 233.02535 147.5
[M]- 233.02645 147.5
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.