CID 40712

Gs 327

Structural Information

Molecular Formula
C15H14BrN3O3S
SMILES
C1C(=O)N(CN1C2=CC=CC=C2)C3=C(C=C(C=C3)S(=O)(=O)N)Br
InChI
InChI=1S/C15H14BrN3O3S/c16-13-8-12(23(17,21)22)6-7-14(13)19-10-18(9-15(19)20)11-4-2-1-3-5-11/h1-8H,9-10H2,(H2,17,21,22)
InChIKey
MTXWZJHMIVGULX-UHFFFAOYSA-N
Compound name
3-bromo-4-(5-oxo-3-phenylimidazolidin-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

394.99393 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.00121 173.9
[M+Na]+ 417.98315 186.0
[M-H]- 393.98665 183.9
[M+NH4]+ 413.02775 188.4
[M+K]+ 433.95709 172.9
[M+H-H2O]+ 377.99119 172.6
[M+HCOO]- 439.99213 187.8
[M+CH3COO]- 454.00778 212.3
[M+Na-2H]- 415.96860 176.4
[M]+ 394.99338 192.5
[M]- 394.99448 192.5
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