CID 370227

Nsc642971

Structural Information

Molecular Formula
C22H24N4O6S2
SMILES
CC1C(C(=O)N(S(=O)(=O)N1)C2=CC=CC=C2)CC3=C(N(S(=O)(=O)N(C3=O)C4=CC=CC=C4)C)C
InChI
InChI=1S/C22H24N4O6S2/c1-15-19(21(27)25(33(29,30)23-15)17-10-6-4-7-11-17)14-20-16(2)24(3)34(31,32)26(22(20)28)18-12-8-5-9-13-18/h4-13,15,19,23H,14H2,1-3H3
InChIKey
QGIHEFHWYZSHNW-UHFFFAOYSA-N
Compound name
5,6-dimethyl-4-[(5-methyl-1,1,3-trioxo-2-phenyl-1,2,6-thiadiazinan-4-yl)methyl]-1,1-dioxo-2-phenyl-1,2,6-thiadiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.11374 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.12102 210.5
[M+Na]+ 527.10296 219.8
[M-H]- 503.10646 215.9
[M+NH4]+ 522.14756 215.2
[M+K]+ 543.07690 212.2
[M+H-H2O]+ 487.11100 201.1
[M+HCOO]- 549.11194 212.8
[M+CH3COO]- 563.12759 235.3
[M+Na-2H]- 525.08841 209.7
[M]+ 504.11319 212.2
[M]- 504.11429 212.2
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.