CID 384325

Nsc674009

Structural Information

Molecular Formula
C11H14ClN3O2S2
SMILES
CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NCCCN2
InChI
InChI=1S/C11H14ClN3O2S2/c1-7-5-10(9(18)6-8(7)12)19(16,17)15-11-13-3-2-4-14-11/h5-6,18H,2-4H2,1H3,(H2,13,14,15)
InChIKey
GRGAGWYKXFSYLN-UHFFFAOYSA-N
Compound name
4-chloro-5-methyl-2-sulfanyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

319.0216 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.02888 165.8
[M+Na]+ 342.01082 174.3
[M-H]- 318.01432 168.4
[M+NH4]+ 337.05542 178.3
[M+K]+ 357.98476 166.7
[M+H-H2O]+ 302.01886 159.6
[M+HCOO]- 364.01980 169.2
[M+CH3COO]- 378.03545 199.3
[M+Na-2H]- 339.99627 167.3
[M]+ 319.02105 166.2
[M]- 319.02215 166.2
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.