CID 3000753

Oprea1_793677

Structural Information

Molecular Formula
C11H11N3O3S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=O)NC(=S)N2
InChI
InChI=1S/C11H11N3O3S2/c1-7-2-4-8(5-3-7)19(16,17)14-9-6-10(15)13-11(18)12-9/h2-6H,1H3,(H3,12,13,14,15,18)
InChIKey
FGBPMEDEJXZSOH-UHFFFAOYSA-N
Compound name
4-methyl-N-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.02417 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.03145 162.6
[M+Na]+ 320.01339 172.5
[M-H]- 296.01689 164.4
[M+NH4]+ 315.05799 174.2
[M+K]+ 335.98733 163.7
[M+H-H2O]+ 280.02143 155.6
[M+HCOO]- 342.02237 172.3
[M+CH3COO]- 356.03802 194.2
[M+Na-2H]- 317.99884 165.8
[M]+ 297.02362 162.0
[M]- 297.02472 162.0
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.