CID 135491387

4-(6-bromo-3-coumarinyl)-3-benzyl-4-thiazolin-2-one 2-hydroxy-5-bromobenzylidenehydrazone

Structural Information

Molecular Formula
C26H17Br2N3O3S
SMILES
C1=CC=C(C=C1)CN\2C(=CS/C2=N\N=C\C3=C(C=CC(=C3)Br)O)C4=CC5=C(C=CC(=C5)Br)OC4=O
InChI
InChI=1S/C26H17Br2N3O3S/c27-19-6-8-23(32)18(11-19)13-29-30-26-31(14-16-4-2-1-3-5-16)22(15-35-26)21-12-17-10-20(28)7-9-24(17)34-25(21)33/h1-13,15,32H,14H2/b29-13+,30-26-
InChIKey
WSIZKZIALUSWPQ-CPUIRHTISA-N
Compound name
3-[(2Z)-3-benzyl-2-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazol-4-yl]-6-bromochromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

608.9357 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 609.94298 201.9
[M+Na]+ 631.92492 212.8
[M-H]- 607.92842 217.1
[M+NH4]+ 626.96952 211.5
[M+K]+ 647.89886 198.4
[M+H-H2O]+ 591.93296 207.3
[M+HCOO]- 653.93390 216.3
[M+CH3COO]- 667.94955 213.0
[M+Na-2H]- 629.91037 205.7
[M]+ 608.93515 240.5
[M]- 608.93625 240.5
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.