CID 509159

2-(9h-fluoren-2-yl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-amine

Structural Information

Molecular Formula
C21H16N3S
SMILES
C1C2=CC=CC=C2C3=C1C=C(C=C3)[N+]4=C(N=C(S4)N)C5=CC=CC=C5
InChI
InChI=1S/C21H15N3S/c22-21-23-20(14-6-2-1-3-7-14)24(25-21)17-10-11-19-16(13-17)12-15-8-4-5-9-18(15)19/h1-11,13,22H,12H2/p+1
InChIKey
WSFXHLGRHQQQRU-UHFFFAOYSA-O
Compound name
2-(9H-fluoren-2-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

342.1065 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.11378 180.0
[M+Na]+ 365.09572 190.8
[M-H]- 341.09922 190.3
[M+NH4]+ 360.14032 196.3
[M+K]+ 381.06966 177.7
[M+H-H2O]+ 325.10376 174.6
[M+HCOO]- 387.10470 197.4
[M+CH3COO]- 401.12035 191.3
[M+Na-2H]- 363.08117 183.5
[M]+ 342.10595 180.8
[M]- 342.10705 180.8
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.