CID 474941

1-benzyl-6-(4-chlorophenyl)-2,2-dioxo-5h-imidazo[4,5-c][1,2,6]thiadiazin-4-amine

Structural Information

Molecular Formula
C17H14ClN5O2S
SMILES
C1=CC=C(C=C1)CN2C3=C(C(=NS2(=O)=O)N)NC(=N3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C17H14ClN5O2S/c18-13-8-6-12(7-9-13)16-20-14-15(19)22-26(24,25)23(17(14)21-16)10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,19,22)(H,20,21)
InChIKey
KMMKIRSGJWGKRI-UHFFFAOYSA-N
Compound name
1-benzyl-6-(4-chlorophenyl)-2,2-dioxo-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.05566 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.06294 185.3
[M+Na]+ 410.04488 197.8
[M-H]- 386.04838 190.3
[M+NH4]+ 405.08948 196.7
[M+K]+ 426.01882 188.9
[M+H-H2O]+ 370.05292 176.4
[M+HCOO]- 432.05386 194.1
[M+CH3COO]- 446.06951 195.0
[M+Na-2H]- 408.03033 187.6
[M]+ 387.05511 188.0
[M]- 387.05621 188.0
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.