CID 135505656

(2e,5z)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-(2-oxoindolin-3-ylidene)thiazolidin-4-one

Structural Information

Molecular Formula
C19H10ClN5O3S
SMILES
C1=CC2=C(C(=O)N=C2C=C1)C3=C(N=C(S3)NC4=NN=C(O4)C5=CC=C(C=C5)Cl)O
InChI
InChI=1S/C19H10ClN5O3S/c20-10-7-5-9(6-8-10)17-24-25-18(28-17)23-19-22-16(27)14(29-19)13-11-3-1-2-4-12(11)21-15(13)26/h1-8,27H,(H,22,23,25)
InChIKey
BIBHHXBUNVZPNC-UHFFFAOYSA-N
Compound name
3-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-4-hydroxy-1,3-thiazol-5-yl]indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

423.0193 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.02658 193.8
[M+Na]+ 446.00852 209.2
[M-H]- 422.01202 206.3
[M+NH4]+ 441.05312 204.9
[M+K]+ 461.98246 203.1
[M+H-H2O]+ 406.01656 186.8
[M+HCOO]- 468.01750 209.2
[M+CH3COO]- 482.03315 205.9
[M+Na-2H]- 443.99397 192.8
[M]+ 423.01875 204.6
[M]- 423.01985 204.6
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.