CID 509172

N-phenethyl-2,3-diphenyl-1,2,4-thiadiazol-2-ium-5-amine

Structural Information

Molecular Formula
C22H20N3S
SMILES
C1=CC=C(C=C1)CCNC2=NC(=[N+](S2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H19N3S/c1-4-10-18(11-5-1)16-17-23-22-24-21(19-12-6-2-7-13-19)25(26-22)20-14-8-3-9-15-20/h1-15H,16-17H2/p+1
InChIKey
VZIBIDDZRGIZLX-UHFFFAOYSA-O
Compound name
2,3-diphenyl-N-(2-phenylethyl)-1,2,4-thiadiazol-2-ium-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.1378 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.14508 185.5
[M+Na]+ 381.12702 192.7
[M-H]- 357.13052 195.9
[M+NH4]+ 376.17162 196.6
[M+K]+ 397.10096 179.2
[M+H-H2O]+ 341.13506 177.4
[M+HCOO]- 403.13600 203.8
[M+CH3COO]- 417.15165 195.2
[M+Na-2H]- 379.11247 190.1
[M]+ 358.13725 184.9
[M]- 358.13835 184.9
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.