CID 15955896

Nsc726597

Structural Information

Molecular Formula
C15H16ClN3O3S2
SMILES
CC1=CN=C2N1S(=O)(=O)C3=C(S2)C=C(C(=C3)C(=O)NCC(C)C)Cl
InChI
InChI=1S/C15H16ClN3O3S2/c1-8(2)6-17-14(20)10-4-13-12(5-11(10)16)23-15-18-7-9(3)19(15)24(13,21)22/h4-5,7-8H,6H2,1-3H3,(H,17,20)
InChIKey
UYGPBZUIPKZYGP-UHFFFAOYSA-N
Compound name
8-chloro-3-methyl-N-(2-methylpropyl)-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

385.03217 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.03945 179.0
[M+Na]+ 408.02139 190.0
[M-H]- 384.02489 182.0
[M+NH4]+ 403.06599 195.8
[M+K]+ 423.99533 184.0
[M+H-H2O]+ 368.02943 175.1
[M+HCOO]- 430.03037 182.9
[M+CH3COO]- 444.04602 216.9
[M+Na-2H]- 406.00684 180.4
[M]+ 385.03162 187.2
[M]- 385.03272 187.2
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

No patent data available for this compound.