CID 9574495

4-(3-coumarinyl)-3-cyclohexylthiazole-2-one 2-nitrobenzylidene hydrazone

Structural Information

Molecular Formula
C25H22N4O4S
SMILES
C1CCC(CC1)N\2C(=CS/C2=N\N=C\C3=CC=CC=C3[N+](=O)[O-])C4=CC5=CC=CC=C5OC4=O
InChI
InChI=1S/C25H22N4O4S/c30-24-20(14-17-8-5-7-13-23(17)33-24)22-16-34-25(28(22)19-10-2-1-3-11-19)27-26-15-18-9-4-6-12-21(18)29(31)32/h4-9,12-16,19H,1-3,10-11H2/b26-15+,27-25-
InChIKey
BROGEALQZAACER-ICIUVLAYSA-N
Compound name
3-[(2Z)-3-cyclohexyl-2-[(E)-(2-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazol-4-yl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

474.13617 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.14345 211.6
[M+Na]+ 497.12539 216.6
[M-H]- 473.12889 226.5
[M+NH4]+ 492.16999 218.7
[M+K]+ 513.09933 207.1
[M+H-H2O]+ 457.13343 204.2
[M+HCOO]- 519.13437 231.5
[M+CH3COO]- 533.15002 234.4
[M+Na-2H]- 495.11084 216.1
[M]+ 474.13562 211.6
[M]- 474.13672 211.6
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.