CID 343992

7467-16-5

Structural Information

Molecular Formula
C14H17ClN4O4S2
SMILES
CCC1=C(C(=NC(=N1)NS(=O)(=O)C)NS(=O)(=O)C)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H17ClN4O4S2/c1-4-11-12(9-5-7-10(15)8-6-9)13(18-24(2,20)21)17-14(16-11)19-25(3,22)23/h5-8H,4H2,1-3H3,(H2,16,17,18,19)
InChIKey
PLUWDGGRUHOJNK-UHFFFAOYSA-N
Compound name
N-[5-(4-chlorophenyl)-6-ethyl-2-(methanesulfonamido)pyrimidin-4-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

404.03796 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.04524 188.9
[M+Na]+ 427.02718 198.1
[M-H]- 403.03068 193.4
[M+NH4]+ 422.07178 198.1
[M+K]+ 443.00112 190.6
[M+H-H2O]+ 387.03522 181.5
[M+HCOO]- 449.03616 195.6
[M+CH3COO]- 463.05181 219.9
[M+Na-2H]- 425.01263 193.0
[M]+ 404.03741 195.0
[M]- 404.03851 195.0
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.