CID 89330

20387-34-2

Structural Information

Molecular Formula
C24H27N2S2
SMILES
CCN1C2=C(C=CC(=C2)C)SC1=CC(=CC3=[N+](C4=C(S3)C=CC(=C4)C)CC)C
InChI
InChI=1S/C24H27N2S2/c1-6-25-19-12-16(3)8-10-21(19)27-23(25)14-18(5)15-24-26(7-2)20-13-17(4)9-11-22(20)28-24/h8-15H,6-7H2,1-5H3/q+1
InChIKey
CSOJCLDDFYLOFU-UHFFFAOYSA-N
Compound name
3-ethyl-2-[3-(3-ethyl-5-methyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-methyl-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.16156 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.16884 194.2
[M+Na]+ 430.15078 210.1
[M+NH4]+ 425.19538 204.4
[M+K]+ 446.12472 200.7
[M-H]- 406.15428 200.4
[M+Na-2H]- 428.13623 199.3
[M]+ 407.16101 199.7
[M]- 407.16211 199.7
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.