CID 135964532

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

Structural Information

Molecular Formula
C19H10N6O5S
SMILES
C1=CC=C(C=C1)C2=NN=C(O2)NC3=NC(=C(S3)C4=C5C=C(C=CC5=NC4=O)[N+](=O)[O-])O
InChI
InChI=1S/C19H10N6O5S/c26-15-13(11-8-10(25(28)29)6-7-12(11)20-15)14-16(27)21-19(31-14)22-18-24-23-17(30-18)9-4-2-1-3-5-9/h1-8,27H,(H,21,22,24)
InChIKey
WZLMRBFZLOXYAJ-UHFFFAOYSA-N
Compound name
3-[4-hydroxy-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,3-thiazol-5-yl]-5-nitroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

434.04333 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.05061 192.5
[M+Na]+ 457.03255 203.0
[M-H]- 433.03605 205.2
[M+NH4]+ 452.07715 200.4
[M+K]+ 473.00649 194.6
[M+H-H2O]+ 417.04059 189.0
[M+HCOO]- 479.04153 212.8
[M+CH3COO]- 493.05718 218.0
[M+Na-2H]- 455.01800 196.6
[M]+ 434.04278 198.3
[M]- 434.04388 198.3
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.