CID 3054825

P-chlorobenzenesulfonylamino-2 methyl-5 propadienyl-1 imidazole [french]

Structural Information

Molecular Formula
C13H12ClN3O2S
SMILES
CC1=CN=C(N1C=C=C)NS(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H12ClN3O2S/c1-3-8-17-10(2)9-15-13(17)16-20(18,19)12-6-4-11(14)5-7-12/h4-9H,1H2,2H3,(H,15,16)
InChIKey
NIWFLYZNCQTNEG-UHFFFAOYSA-N
Compound name
4-chloro-N-(5-methyl-1-propa-1,2-dienylimidazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.03387 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.04115 170.1
[M+Na]+ 332.02309 181.3
[M-H]- 308.02659 175.4
[M+NH4]+ 327.06769 185.6
[M+K]+ 347.99703 174.1
[M+H-H2O]+ 292.03113 163.2
[M+HCOO]- 354.03207 183.8
[M+CH3COO]- 368.04772 200.6
[M+Na-2H]- 330.00854 171.6
[M]+ 309.03332 174.6
[M]- 309.03442 174.6
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.