CID 3044928

Brn 0586182

Structural Information

Molecular Formula
C15H14N4O5S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=NS(=O)(=O)C3=CC=CC=C3N2
InChI
InChI=1S/C15H14N4O5S2/c1-10-6-8-11(9-7-10)25(21,22)19-17-15(20)14-16-12-4-2-3-5-13(12)26(23,24)18-14/h2-9,19H,1H3,(H,16,18)(H,17,20)
InChIKey
CTABACBVAXITKC-UHFFFAOYSA-N
Compound name
N'-(4-methylphenyl)sulfonyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.04056 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.04784 182.8
[M+Na]+ 417.02978 190.6
[M-H]- 393.03328 185.5
[M+NH4]+ 412.07438 192.9
[M+K]+ 433.00372 184.0
[M+H-H2O]+ 377.03782 175.5
[M+HCOO]- 439.03876 191.6
[M+CH3COO]- 453.05441 215.3
[M+Na-2H]- 415.01523 190.9
[M]+ 394.04001 184.4
[M]- 394.04111 184.4
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.