CID 136195523

N'-(2,3-dioxoindolin-1-yl)-5-[(z)-2-(2-furyl)vinyl]isoxazole-3-carbohydrazide

Structural Information

Molecular Formula
C18H12N4O5
SMILES
C1=CC=C2C(=C1)C(=C(N2N=NC(=O)C3=NOC(=C3)/C=C\C4=CC=CO4)O)O
InChI
InChI=1S/C18H12N4O5/c23-16-13-5-1-2-6-15(13)22(18(16)25)21-19-17(24)14-10-12(27-20-14)8-7-11-4-3-9-26-11/h1-10,23,25H/b8-7-,21-19?
InChIKey
KWFAHFRJQXBCEJ-WIKFXDDTSA-N
Compound name
N-(2,3-dihydroxyindol-1-yl)imino-5-[(Z)-2-(furan-2-yl)ethenyl]-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.08078 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.08806 179.2
[M+Na]+ 387.07000 189.7
[M-H]- 363.07350 191.7
[M+NH4]+ 382.11460 192.0
[M+K]+ 403.04394 188.2
[M+H-H2O]+ 347.07804 172.0
[M+HCOO]- 409.07898 206.3
[M+CH3COO]- 423.09463 192.2
[M+Na-2H]- 385.05545 182.5
[M]+ 364.08023 187.8
[M]- 364.08133 187.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.