CID 383308

Nsc671421

Structural Information

Molecular Formula
C20H14N2S2
SMILES
C1=CC=C(C=C1)N=C2C(=NC3=CC=CC=C3)SC4=CC=CC=C4S2
InChI
InChI=1S/C20H14N2S2/c1-3-9-15(10-4-1)21-19-20(22-16-11-5-2-6-12-16)24-18-14-8-7-13-17(18)23-19/h1-14H
InChIKey
FMVHAGUFSUOTQL-UHFFFAOYSA-N
Compound name
2-N,3-N-diphenyl-1,4-benzodithiine-2,3-diimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

346.05984 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.06712 174.9
[M+Na]+ 369.04906 184.6
[M-H]- 345.05256 187.3
[M+NH4]+ 364.09366 190.3
[M+K]+ 385.02300 176.1
[M+H-H2O]+ 329.05710 165.8
[M+HCOO]- 391.05804 193.3
[M+CH3COO]- 405.07369 186.6
[M+Na-2H]- 367.03451 182.0
[M]+ 346.05929 176.8
[M]- 346.06039 176.8
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.