CID 3087146

Brn 5999663

Structural Information

Molecular Formula
C17H10N4O2S2
SMILES
C1=CC=C(C=C1)C2=CC3=C(S2)C(=NS3(=O)=O)N4C5=CC=CC=C5N=N4
InChI
InChI=1S/C17H10N4O2S2/c22-25(23)15-10-14(11-6-2-1-3-7-11)24-16(15)17(19-25)21-13-9-5-4-8-12(13)18-20-21/h1-10H
InChIKey
DHADUOSCVDGLAA-UHFFFAOYSA-N
Compound name
3-(benzotriazol-1-yl)-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.0245 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.03178 181.2
[M+Na]+ 389.01372 198.6
[M-H]- 365.01722 191.5
[M+NH4]+ 384.05832 199.8
[M+K]+ 404.98766 192.5
[M+H-H2O]+ 349.02176 176.3
[M+HCOO]- 411.02270 196.3
[M+CH3COO]- 425.03835 194.6
[M+Na-2H]- 386.99917 181.8
[M]+ 366.02395 190.7
[M]- 366.02505 190.7
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.