CID 3041006

53297-82-8

Structural Information

Molecular Formula
C16H17N3O3S
SMILES
CC1=C(C=CC(=C1)S(=O)(=O)N)N2CN(CC2=O)C3=CC=CC=C3
InChI
InChI=1S/C16H17N3O3S/c1-12-9-14(23(17,21)22)7-8-15(12)19-11-18(10-16(19)20)13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H2,17,21,22)
InChIKey
HUUHHWPSOFUOEV-UHFFFAOYSA-N
Compound name
3-methyl-4-(5-oxo-3-phenylimidazolidin-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

331.09906 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.10634 176.7
[M+Na]+ 354.08828 185.6
[M-H]- 330.09178 184.3
[M+NH4]+ 349.13288 189.7
[M+K]+ 370.06222 180.1
[M+H-H2O]+ 314.09632 168.5
[M+HCOO]- 376.09726 192.1
[M+CH3COO]- 390.11291 207.0
[M+Na-2H]- 352.07373 176.7
[M]+ 331.09851 176.9
[M]- 331.09961 176.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe