CID 467792

6-methyl-n2,n3-bis(p-tolyl)-1,4-benzodithiine-2,3-diimine

Structural Information

Molecular Formula
C23H20N2S2
SMILES
CC1=CC=C(C=C1)N=C2C(=NC3=CC=C(C=C3)C)SC4=C(S2)C=CC(=C4)C
InChI
InChI=1S/C23H20N2S2/c1-15-4-9-18(10-5-15)24-22-23(25-19-11-6-16(2)7-12-19)27-21-14-17(3)8-13-20(21)26-22/h4-14H,1-3H3
InChIKey
UQZGWXGCFAAYAL-UHFFFAOYSA-N
Compound name
6-methyl-2-N,3-N-bis(4-methylphenyl)-1,4-benzodithiine-2,3-diimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.10678 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.11406 189.1
[M+Na]+ 411.09600 199.5
[M-H]- 387.09950 201.9
[M+NH4]+ 406.14060 203.5
[M+K]+ 427.06994 190.6
[M+H-H2O]+ 371.10404 179.5
[M+HCOO]- 433.10498 206.1
[M+CH3COO]- 447.12063 200.2
[M+Na-2H]- 409.08145 192.6
[M]+ 388.10623 193.0
[M]- 388.10733 193.0
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.