CID 135679612

5-bromo-2-hydroxybenzaldehyde [3-(4-ethoxyphenyl)-5-sulfanyl-4h-1,2,4-triazol-4-yl]hydrazone

Structural Information

Molecular Formula
C17H16BrN5O2S
SMILES
CCOC1=CC=C(C=C1)C2=NNC(=S)N2N/N=C/C3=C(C=CC(=C3)Br)O
InChI
InChI=1S/C17H16BrN5O2S/c1-2-25-14-6-3-11(4-7-14)16-20-21-17(26)23(16)22-19-10-12-9-13(18)5-8-15(12)24/h3-10,22,24H,2H2,1H3,(H,21,26)/b19-10+
InChIKey
RQDAXBWZIGMSFN-VXLYETTFSA-N
Compound name
4-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.0208 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.02808 186.0
[M+Na]+ 456.01002 189.3
[M+NH4]+ 451.05462 188.3
[M+K]+ 471.98396 188.6
[M-H]- 432.01352 188.4
[M+Na-2H]- 453.99547 190.1
[M]+ 433.02025 186.2
[M]- 433.02135 186.2
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.