CID 135417412

Methyl-5 propadienyl-1 p-toluenesulfonylamino imidazole [french]

Structural Information

Molecular Formula
C14H16N3O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N=C\2NC=C(/[N+]2=C\C=C)C
InChI
InChI=1S/C14H16N3O2S/c1-4-9-17-12(3)10-15-14(17)16-20(18,19)13-7-5-11(2)6-8-13/h4-10H,1H2,2-3H3,(H,15,16)/q+1/b17-9+
InChIKey
DGEHTMBDMXQHOK-RQZCQDPDSA-N
Compound name
4-methyl-N-[(3E)-4-methyl-3-prop-2-enylidene-1H-imidazol-3-ium-2-ylidene]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.0963 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.10358 166.9
[M+Na]+ 313.08552 176.1
[M-H]- 289.08902 172.1
[M+NH4]+ 308.13012 181.9
[M+K]+ 329.05946 164.4
[M+H-H2O]+ 273.09356 162.2
[M+HCOO]- 335.09450 183.4
[M+CH3COO]- 349.11015 191.2
[M+Na-2H]- 311.07097 170.5
[M]+ 290.09575 166.1
[M]- 290.09685 166.1
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.