CID 374734

Nsc652926

Structural Information

Molecular Formula
C15H10N4S
SMILES
C1=CC=C(C=C1)N2C=NN=C2C3=NSC4=CC=CC=C43
InChI
InChI=1S/C15H10N4S/c1-2-6-11(7-3-1)19-10-16-17-15(19)14-12-8-4-5-9-13(12)20-18-14/h1-10H
InChIKey
HJCDKNYWVQFARJ-UHFFFAOYSA-N
Compound name
3-(4-phenyl-1,2,4-triazol-3-yl)-1,2-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.06262 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.06990 159.9
[M+Na]+ 301.05184 173.2
[M-H]- 277.05534 167.5
[M+NH4]+ 296.09644 176.1
[M+K]+ 317.02578 167.0
[M+H-H2O]+ 261.05988 151.3
[M+HCOO]- 323.06082 178.6
[M+CH3COO]- 337.07647 173.0
[M+Na-2H]- 299.03729 163.0
[M]+ 278.06207 164.3
[M]- 278.06317 164.3
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.