CID 509141

2-(1-naphthyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-amine

Structural Information

Molecular Formula
C18H14N3S
SMILES
C1=CC=C(C=C1)C2=[N+](SC(=N2)N)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C18H13N3S/c19-18-20-17(14-8-2-1-3-9-14)21(22-18)16-12-6-10-13-7-4-5-11-15(13)16/h1-12,19H/p+1
InChIKey
BETCZULUAXSWLA-UHFFFAOYSA-O
Compound name
2-naphthalen-1-yl-3-phenyl-1,2,4-thiadiazol-2-ium-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.09085 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.09813 169.0
[M+Na]+ 327.08007 180.0
[M-H]- 303.08357 178.2
[M+NH4]+ 322.12467 184.0
[M+K]+ 343.05401 166.9
[M+H-H2O]+ 287.08811 162.8
[M+HCOO]- 349.08905 188.0
[M+CH3COO]- 363.10470 180.9
[M+Na-2H]- 325.06552 175.7
[M]+ 304.09030 169.6
[M]- 304.09140 169.6
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.