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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.13248 195.1
[M+Na]+ 417.11442 207.5
[M-H]- 393.11792 203.8
[M+NH4]+ 412.15902 206.7
[M+K]+ 433.08836 196.8
[M+H-H2O]+ 377.12246 184.8
[M+HCOO]- 439.12340 211.6
[M+CH3COO]- 453.13905 205.2
[M+Na-2H]- 415.09987 198.7
[M]+ 394.12465 198.4
[M]- 394.12575 198.4
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.