CID 509150

1,2,4-thiadiazolium, 5-amino-2-(1-naphthalenylmethyl)-3-phenyl-

Structural Information

Molecular Formula
C19H16N3S
SMILES
C1=CC=C(C=C1)C2=[N+](SC(=N2)N)CC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C19H15N3S/c20-19-21-18(15-8-2-1-3-9-15)22(23-19)13-16-11-6-10-14-7-4-5-12-17(14)16/h1-12,20H,13H2/p+1
InChIKey
OYKOYMPMZYOTPL-UHFFFAOYSA-O
Compound name
2-(naphthalen-1-ylmethyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.1065 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.11378 173.4
[M+Na]+ 341.09572 183.9
[M-H]- 317.09922 182.4
[M+NH4]+ 336.14032 187.8
[M+K]+ 357.06966 170.6
[M+H-H2O]+ 301.10376 167.0
[M+HCOO]- 363.10470 192.1
[M+CH3COO]- 377.12035 184.9
[M+Na-2H]- 339.08117 179.6
[M]+ 318.10595 174.3
[M]- 318.10705 174.3
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.