CID 24847200

Brn 4533355

Structural Information

Molecular Formula
C15H9Cl2N3S
SMILES
C1C2=NN=C(N2C3=CC=CC=C3S1)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C15H9Cl2N3S/c16-9-5-6-10(11(17)7-9)15-19-18-14-8-21-13-4-2-1-3-12(13)20(14)15/h1-7H,8H2
InChIKey
RYXANBNLULTLBP-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.9894 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.99668 170.4
[M+Na]+ 355.97862 183.6
[M-H]- 331.98212 174.9
[M+NH4]+ 351.02322 186.4
[M+K]+ 371.95256 175.6
[M+H-H2O]+ 315.98666 162.7
[M+HCOO]- 377.98760 174.9
[M+CH3COO]- 392.00325 181.5
[M+Na-2H]- 353.96407 172.8
[M]+ 332.98885 175.4
[M]- 332.98995 175.4
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.