CID 3088744

Brn 5996129

Structural Information

Molecular Formula
C18H11N3O2S2
SMILES
C1=CC=C(C=C1)C2=CC3=C(S2)C(=NS3(=O)=O)N4C5=CC=CC=C5C=N4
InChI
InChI=1S/C18H11N3O2S2/c22-25(23)16-10-15(12-6-2-1-3-7-12)24-17(16)18(20-25)21-14-9-5-4-8-13(14)11-19-21/h1-11H
InChIKey
LWBSCMXQRLQDMR-UHFFFAOYSA-N
Compound name
3-indazol-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

365.02927 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.03655 182.7
[M+Na]+ 388.01849 199.7
[M-H]- 364.02199 194.1
[M+NH4]+ 383.06309 202.7
[M+K]+ 403.99243 193.5
[M+H-H2O]+ 348.02653 178.2
[M+HCOO]- 410.02747 198.7
[M+CH3COO]- 424.04312 196.3
[M+Na-2H]- 386.00394 183.1
[M]+ 365.02872 192.1
[M]- 365.02982 192.1
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.