CID 135520508

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

Structural Information

Molecular Formula
C20H12N6O6S
SMILES
COC1=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/C20H12N6O6S/c1-31-11-5-2-9(3-6-11)18-24-25-19(32-18)23-20-22-17(28)15(33-20)14-12-8-10(26(29)30)4-7-13(12)21-16(14)27/h2-8,28H,1H3,(H,22,23,25)
InChIKey
MDPZYRCEOUKRNT-UHFFFAOYSA-N
Compound name
3-[4-hydroxy-2-[[5-(4-methoxyphenyl)-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

464.0539 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.06118 200.4
[M+Na]+ 487.04312 210.5
[M-H]- 463.04662 213.2
[M+NH4]+ 482.08772 207.0
[M+K]+ 503.01706 202.7
[M+H-H2O]+ 447.05116 196.9
[M+HCOO]- 509.05210 220.3
[M+CH3COO]- 523.06775 224.2
[M+Na-2H]- 485.02857 203.9
[M]+ 464.05335 208.0
[M]- 464.05445 208.0
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.