CID 12078624

Mi-4f

Structural Information

Molecular Formula
C22H17FN3S
SMILES
C1=CC=C(C=C1)NC2=N[N+](=C(S2)/C=C/C3=CC=C(C=C3)F)C4=CC=CC=C4
InChI
InChI=1S/C22H17FN3S/c23-18-14-11-17(12-15-18)13-16-21-26(20-9-5-2-6-10-20)25-22(27-21)24-19-7-3-1-4-8-19/h1-16H,(H,24,25)/q+1/b16-13+
InChIKey
BCNLNLNULNZXNP-DTQAZKPQSA-N
Compound name
5-[(E)-2-(4-fluorophenyl)ethenyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.11273 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.12001 188.8
[M+Na]+ 397.10195 197.2
[M-H]- 373.10545 198.2
[M+NH4]+ 392.14655 199.5
[M+K]+ 413.07589 182.6
[M+H-H2O]+ 357.10999 179.9
[M+HCOO]- 419.11093 206.2
[M+CH3COO]- 433.12658 198.3
[M+Na-2H]- 395.08740 192.0
[M]+ 374.11218 187.0
[M]- 374.11328 187.0
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.