CID 135704661

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

Structural Information

Molecular Formula
C19H18N6OS
SMILES
CCOC1=CC=C(C=C1)C2=NNC(=S)N2N/N=C/C3=CNC4=CC=CC=C43
InChI
InChI=1S/C19H18N6OS/c1-2-26-15-9-7-13(8-10-15)18-22-23-19(27)25(18)24-21-12-14-11-20-17-6-4-3-5-16(14)17/h3-12,20,24H,2H2,1H3,(H,23,27)/b21-12+
InChIKey
FIUNAXYNQXXTLM-CIAFOILYSA-N
Compound name
3-(4-ethoxyphenyl)-4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.12628 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.13356 186.1
[M+Na]+ 401.11550 199.5
[M+NH4]+ 396.16010 192.3
[M+K]+ 417.08944 193.6
[M-H]- 377.11900 190.7
[M+Na-2H]- 399.10095 194.1
[M]+ 378.12573 189.6
[M]- 378.12683 189.6
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.