CID 135964524

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

Structural Information

Molecular Formula
C21H15N5O4S
SMILES
CN1C2=CC=CC=C2/C(=C/3\C(=O)N/C(=N\C4=NN=C(O4)C5=CC=C(C=C5)OC)/S3)/C1=O
InChI
InChI=1S/C21H15N5O4S/c1-26-14-6-4-3-5-13(14)15(19(26)28)16-17(27)22-21(31-16)23-20-25-24-18(30-20)11-7-9-12(29-2)10-8-11/h3-10H,1-2H3,(H,22,23,25,27)/b16-15-
InChIKey
DUZTVAJJMJZCQR-NXVVXOECSA-N
Compound name
(2E,5Z)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]imino]-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

433.08447 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.09175 201.8
[M+Na]+ 456.07369 212.6
[M-H]- 432.07719 213.7
[M+NH4]+ 451.11829 211.8
[M+K]+ 472.04763 207.6
[M+H-H2O]+ 416.08173 194.6
[M+HCOO]- 478.08267 216.5
[M+CH3COO]- 492.09832 211.8
[M+Na-2H]- 454.05914 195.8
[M]+ 433.08392 205.8
[M]- 433.08502 205.8
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.