CID 468924

Chembl128487

Structural Information

Molecular Formula
C16H13ClN4O2S2
SMILES
C1CC2=NN=C(N2C3=CC=CC=C31)NS(=O)(=O)C4=C(C=C(C=C4)Cl)S
InChI
InChI=1S/C16H13ClN4O2S2/c17-11-6-7-14(13(24)9-11)25(22,23)20-16-19-18-15-8-5-10-3-1-2-4-12(10)21(15)16/h1-4,6-7,9,24H,5,8H2,(H,19,20)
InChIKey
UTJWPBZLYLTSNN-UHFFFAOYSA-N
Compound name
4-chloro-N-(4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-yl)-2-sulfanylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

392.01685 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.02413 185.3
[M+Na]+ 415.00607 197.3
[M-H]- 391.00957 190.4
[M+NH4]+ 410.05067 198.4
[M+K]+ 430.98001 189.7
[M+H-H2O]+ 375.01411 179.2
[M+HCOO]- 437.01505 189.8
[M+CH3COO]- 451.03070 195.2
[M+Na-2H]- 412.99152 189.6
[M]+ 392.01630 191.1
[M]- 392.01740 191.1
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.