CID 64340596

1-hexyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride

Structural Information

Molecular Formula
C10H15ClN2O4S
SMILES
CCCCCCN1C=C(C(=O)NC1=O)S(=O)(=O)Cl
InChI
InChI=1S/C10H15ClN2O4S/c1-2-3-4-5-6-13-7-8(18(11,16)17)9(14)12-10(13)15/h7H,2-6H2,1H3,(H,12,14,15)
InChIKey
ZPDOEYYJRGEGRI-UHFFFAOYSA-N
Compound name
1-hexyl-2,4-dioxopyrimidine-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.0441 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.05138 159.3
[M+Na]+ 317.03332 170.1
[M-H]- 293.03682 159.8
[M+NH4]+ 312.07792 173.3
[M+K]+ 333.00726 164.1
[M+H-H2O]+ 277.04136 153.6
[M+HCOO]- 339.04230 169.6
[M+CH3COO]- 353.05795 193.7
[M+Na-2H]- 315.01877 161.7
[M]+ 294.04355 166.0
[M]- 294.04465 166.0
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.