CID 6880434

478255-61-7

Structural Information

Molecular Formula

C₂₄H₁₈N₄S

SMILES

CC1=CC(=CC=C1)C2=NNC(=S)N2/N=C/C3=C4C=CC=CC4=CC5=CC=CC=C53

InChI

InChI=1S/C24H18N4S/c1-16-7-6-10-19(13-16)23-26-27-24(29)28(23)25-15-22-20-11-4-2-8-17(20)14-18-9-3-5-12-21(18)22/h2-15H,1H3,(H,27,29)/b25-15+

InChIKey

RHGZVAXCZDZRMI-MFKUBSTISA-N

Compound name

4-[(E)-anthracen-9-ylmethylideneamino]-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 394.1252 Da
Monoisotopic Mass: 6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	395.132476	195.1
[M+Na]+	417.114418	207.5
[M-H]-	393.117924	203.8
[M+NH4]+	412.159023	206.7
[M+K]+	433.088358	196.8
[M+H-H2O]+	377.122460	184.8
[M+HCOO]-	439.123401	211.6
[M+CH3COO]-	453.139051	205.2
[M+Na-2H]-	415.099866	198.7
[M]+	394.12465142	198.4
[M]-	394.12574858	198.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.