CID 9570800

73623-39-9

Structural Information

Molecular Formula
C18H14N6O5S
SMILES
CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)/C=N/NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C18H14N6O5S/c1-12(25)22(14-5-3-2-4-6-14)18-20-13(11-30-18)10-19-21-16-8-7-15(23(26)27)9-17(16)24(28)29/h2-11,21H,1H3/b19-10+
InChIKey
FGQIJIJCFITRRC-VXLYETTFSA-N
Compound name
N-[4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.07465 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.08193 194.3
[M+Na]+ 449.06387 195.2
[M-H]- 425.06737 204.6
[M+NH4]+ 444.10847 201.6
[M+K]+ 465.03781 183.9
[M+H-H2O]+ 409.07191 191.6
[M+HCOO]- 471.07285 217.4
[M+CH3COO]- 485.08850 222.0
[M+Na-2H]- 447.04932 201.0
[M]+ 426.07410 191.8
[M]- 426.07520 191.8
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.