CID 135505662

(2e,5z)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]imino]-5-(5-methyl-2-oxo-indolin-3-ylidene)thiazolidin-4-one

Structural Information

Molecular Formula
C21H15N5O4S
SMILES
CC1=CC2=C(C(=O)N=C2C=C1)C3=C(N=C(S3)NC4=NN=C(O4)C5=CC=C(C=C5)OC)O
InChI
InChI=1S/C21H15N5O4S/c1-10-3-8-14-13(9-10)15(17(27)22-14)16-18(28)23-21(31-16)24-20-26-25-19(30-20)11-4-6-12(29-2)7-5-11/h3-9,28H,1-2H3,(H,23,24,26)
InChIKey
WVQGIZZYELWATM-UHFFFAOYSA-N
Compound name
3-[4-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-thiazol-5-yl]-5-methylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

433.08447 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.09175 197.8
[M+Na]+ 456.07369 212.0
[M-H]- 432.07719 210.7
[M+NH4]+ 451.11829 207.7
[M+K]+ 472.04763 207.2
[M+H-H2O]+ 416.08173 190.9
[M+HCOO]- 478.08267 217.3
[M+CH3COO]- 492.09832 209.7
[M+Na-2H]- 454.05914 196.1
[M]+ 433.08392 208.9
[M]- 433.08502 208.9
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

No patent data available for this compound.