CID 12078621

Md-i

Structural Information

Molecular Formula
C23H20N3S
SMILES
CC1=CC=C(C=C1)/C=C/C2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H20N3S/c1-18-12-14-19(15-13-18)16-17-22-26(21-10-6-3-7-11-21)25-23(27-22)24-20-8-4-2-5-9-20/h2-17H,1H3,(H,24,25)/q+1/b17-16+
InChIKey
FZKWXPMZGWTVCW-WUKNDPDISA-N
Compound name
5-[(E)-2-(4-methylphenyl)ethenyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

370.1378 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.14508 190.9
[M+Na]+ 393.12702 198.8
[M-H]- 369.13052 201.5
[M+NH4]+ 388.17162 201.8
[M+K]+ 409.10096 184.4
[M+H-H2O]+ 353.13506 182.8
[M+HCOO]- 415.13600 209.0
[M+CH3COO]- 429.15165 200.5
[M+Na-2H]- 391.11247 194.1
[M]+ 370.13725 190.2
[M]- 370.13835 190.2
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.