CID 503150

Schembl562421

Structural Information

Molecular Formula
C17H15N5O2S
SMILES
C1=CC=C(C=C1)CN2C3=C(C(=NS2(=O)=O)N)NC(=N3)C4=CC=CC=C4
InChI
InChI=1S/C17H15N5O2S/c18-15-14-17(20-16(19-14)13-9-5-2-6-10-13)22(25(23,24)21-15)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,18,21)(H,19,20)
InChIKey
AIOAPRDQNULXOA-UHFFFAOYSA-N
Compound name
1-benzyl-2,2-dioxo-6-phenyl-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

353.09464 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.10192 179.5
[M+Na]+ 376.08386 190.8
[M-H]- 352.08736 184.4
[M+NH4]+ 371.12846 191.2
[M+K]+ 392.05780 182.8
[M+H-H2O]+ 336.09190 170.1
[M+HCOO]- 398.09284 193.0
[M+CH3COO]- 412.10849 189.3
[M+Na-2H]- 374.06931 182.9
[M]+ 353.09409 179.8
[M]- 353.09519 179.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe