CID 9679461

478256-55-2

Structural Information

Molecular Formula
C24H18N4OS
SMILES
COC1=CC=CC=C1C2=NNC(=S)N2/N=C/C3=C4C=CC=CC4=CC5=CC=CC=C53
InChI
InChI=1S/C24H18N4OS/c1-29-22-13-7-6-12-20(22)23-26-27-24(30)28(23)25-15-21-18-10-4-2-8-16(18)14-17-9-3-5-11-19(17)21/h2-15H,1H3,(H,27,30)/b25-15+
InChIKey
GMGRBNKNWAMBAZ-MFKUBSTISA-N
Compound name
4-[(E)-anthracen-9-ylmethylideneamino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.12012 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.12740 198.2
[M+Na]+ 433.10934 210.2
[M-H]- 409.11284 206.9
[M+NH4]+ 428.15394 209.0
[M+K]+ 449.08328 200.3
[M+H-H2O]+ 393.11738 187.8
[M+HCOO]- 455.11832 214.9
[M+CH3COO]- 469.13397 208.1
[M+Na-2H]- 431.09479 202.1
[M]+ 410.11957 202.8
[M]- 410.12067 202.8
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.