CID 9579381

2-(4-nitrobenzylideneamino)thiazole

Structural Information

Molecular Formula
C10H7N3O2S
SMILES
C1=CC(=CC=C1/C=N/C2=NC=CS2)[N+](=O)[O-]
InChI
InChI=1S/C10H7N3O2S/c14-13(15)9-3-1-8(2-4-9)7-12-10-11-5-6-16-10/h1-7H/b12-7+
InChIKey
PHLFPZFOJXHXPC-KPKJPENVSA-N
Compound name
(E)-1-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
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 147.5
[M+Na]+ 256.01512 155.3
[M-H]- 232.01862 154.9
[M+NH4]+ 251.05972 165.6
[M+K]+ 271.98906 147.9
[M+H-H2O]+ 216.02316 144.1
[M+HCOO]- 278.02410 171.2
[M+CH3COO]- 292.03975 184.8
[M+Na-2H]- 254.00057 153.7
[M]+ 233.02535 147.6
[M]- 233.02645 147.6
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.