CID 4477130

3-{[(2,2-dioxido-1,3-dihydro-2-benzothien-5-yl)amino]methylene}-5-(1,3-oxazol-5-yl)-1,3-dihydro-2h-indol-2-one

Structural Information

Molecular Formula
C20H15N3O4S
SMILES
C1C2=C(CS1(=O)=O)C=C(C=C2)N=CC3=C(NC4=C3C=C(C=C4)C5=CN=CO5)O
InChI
InChI=1S/C20H15N3O4S/c24-20-17(7-22-15-3-1-13-9-28(25,26)10-14(13)5-15)16-6-12(2-4-18(16)23-20)19-8-21-11-27-19/h1-8,11,23-24H,9-10H2
InChIKey
ZUZDKICRQXWQSH-UHFFFAOYSA-N
Compound name
3-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)iminomethyl]-5-(1,3-oxazol-5-yl)-1H-indol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

393.07834 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.08562 187.2
[M+Na]+ 416.06756 200.3
[M-H]- 392.07106 198.7
[M+NH4]+ 411.11216 204.1
[M+K]+ 432.04150 195.3
[M+H-H2O]+ 376.07560 182.2
[M+HCOO]- 438.07654 206.0
[M+CH3COO]- 452.09219 199.6
[M+Na-2H]- 414.05301 188.5
[M]+ 393.07779 194.4
[M]- 393.07889 194.4
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