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]+ 310.041146 170.1
[M+Na]+ 332.023088 181.3
[M-H]- 308.026594 175.4
[M+NH4]+ 327.067693 185.6
[M+K]+ 347.997028 174.1
[M+H-H2O]+ 292.031130 163.2
[M+HCOO]- 354.032071 183.8
[M+CH3COO]- 368.047721 200.6
[M+Na-2H]- 330.008536 171.6
[M]+ 309.03332142 174.6
[M]- 309.03441858 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.