CID 474940

1,6-dibenzyl-2,2-dioxo-5h-imidazo[4,5-c][1,2,6]thiadiazin-4-amine

Structural Information

Molecular Formula
C18H17N5O2S
SMILES
C1=CC=C(C=C1)CC2=NC3=C(N2)C(=NS(=O)(=O)N3CC4=CC=CC=C4)N
InChI
InChI=1S/C18H17N5O2S/c19-17-16-18(21-15(20-16)11-13-7-3-1-4-8-13)23(26(24,25)22-17)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,19,22)(H,20,21)
InChIKey
UQVJHBKEKAOKRM-UHFFFAOYSA-N
Compound name
1,6-dibenzyl-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

367.1103 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.11758 183.4
[M+Na]+ 390.09952 194.3
[M-H]- 366.10302 188.1
[M+NH4]+ 385.14412 194.5
[M+K]+ 406.07346 186.1
[M+H-H2O]+ 350.10756 173.8
[M+HCOO]- 412.10850 196.7
[M+CH3COO]- 426.12415 192.8
[M+Na-2H]- 388.08497 186.5
[M]+ 367.10975 184.0
[M]- 367.11085 184.0
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.