CID 6183653

Nsc16884

Structural Information

Molecular Formula
C20H18N4S2
SMILES
C1=CC=C(C=C1)/C=C/C2N3N(C(=S)N2)C(NC3=S)/C=C/C4=CC=CC=C4
InChI
InChI=1S/C20H18N4S2/c25-19-21-17(13-11-15-7-3-1-4-8-15)23-20(26)22-18(24(19)23)14-12-16-9-5-2-6-10-16/h1-14,17-18H,(H,21,25)(H,22,26)/b13-11+,14-12+
InChIKey
HWPJVFAHJIDXJJ-PHEQNACWSA-N
Compound name
1,5-bis[(E)-2-phenylethenyl]-1,2,5,6-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.0973 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.10458 189.0
[M+Na]+ 401.08652 198.8
[M-H]- 377.09002 192.1
[M+NH4]+ 396.13112 200.5
[M+K]+ 417.06046 187.9
[M+H-H2O]+ 361.09456 182.4
[M+HCOO]- 423.09550 193.5
[M+CH3COO]- 437.11115 196.8
[M+Na-2H]- 399.07197 182.6
[M]+ 378.09675 185.6
[M]- 378.09785 185.6
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.