CID 6447973

5-(4-(2-phenylethenyl)phenylamino)-1,2,3,4-thiatriazole

Structural Information

Molecular Formula
C15H12N4S
SMILES
C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)NC3=NN=NS3
InChI
InChI=1S/C15H12N4S/c1-2-4-12(5-3-1)6-7-13-8-10-14(11-9-13)16-15-17-18-19-20-15/h1-11H,(H,16,17,19)/b7-6+
InChIKey
CHVLTDQLUIYNGG-VOTSOKGWSA-N
Compound name
N-[4-[(E)-2-phenylethenyl]phenyl]thiatriazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.07828 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.08556 161.2
[M+Na]+ 303.06750 170.4
[M-H]- 279.07100 167.5
[M+NH4]+ 298.11210 175.0
[M+K]+ 319.04144 163.5
[M+H-H2O]+ 263.07554 151.6
[M+HCOO]- 325.07648 180.1
[M+CH3COO]- 339.09213 172.7
[M+Na-2H]- 301.05295 165.4
[M]+ 280.07773 161.7
[M]- 280.07883 161.7
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.