CID 3041017

53298-14-9

Structural Information

Molecular Formula
C16H16ClN3O3S
SMILES
CC1C(=O)N(CN1C2=CC=CC=C2)C3=C(C=C(C=C3)S(=O)(=O)N)Cl
InChI
InChI=1S/C16H16ClN3O3S/c1-11-16(21)20(10-19(11)12-5-3-2-4-6-12)15-8-7-13(9-14(15)17)24(18,22)23/h2-9,11H,10H2,1H3,(H2,18,22,23)
InChIKey
NJWPBUCTYQFQRT-UHFFFAOYSA-N
Compound name
3-chloro-4-(4-methyl-5-oxo-3-phenylimidazolidin-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

365.0601 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.06738 184.1
[M+Na]+ 388.04932 194.4
[M-H]- 364.05282 192.0
[M+NH4]+ 383.09392 196.9
[M+K]+ 404.02326 187.6
[M+H-H2O]+ 348.05736 176.6
[M+HCOO]- 410.05830 194.8
[M+CH3COO]- 424.07395 211.8
[M+Na-2H]- 386.03477 182.9
[M]+ 365.05955 186.7
[M]- 365.06065 186.7
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

patents stripe