CID 9870546

Unii-iek4128c18

Structural Information

Molecular Formula
C24H22N4O4S
SMILES
C1CN(C2=C1C=C(C=C2)S(=O)(=O)N3C[C@@H](NC3=O)C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)N
InChI
InChI=1S/C24H22N4O4S/c25-19-8-6-17(7-9-19)23(29)27-13-12-18-14-20(10-11-22(18)27)33(31,32)28-15-21(26-24(28)30)16-4-2-1-3-5-16/h1-11,14,21H,12-13,15,25H2,(H,26,30)/t21-/m1/s1
InChIKey
YZBUIQWOLSBWEX-OAQYLSRUSA-N
Compound name
(4S)-1-[[1-(4-aminobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

12
Patents

462.13617 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.14345 204.8
[M+Na]+ 485.12539 215.7
[M+NH4]+ 480.16999 209.7
[M+K]+ 501.09933 212.6
[M-H]- 461.12889 209.1
[M+Na-2H]- 483.11084 211.1
[M]+ 462.13562 207.7
[M]- 462.13672 207.7
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