CID 5387446

Nsc623730

Structural Information

Molecular Formula
C20H16N4O5
SMILES
CCOC1=CC=CC=C1N2C(=O)/C(=N\N)/C(C(=O)C2=O)C3=NC4=CC=CC=C4O3
InChI
InChI=1S/C20H16N4O5/c1-2-28-14-10-6-4-8-12(14)24-19(26)16(23-21)15(17(25)20(24)27)18-22-11-7-3-5-9-13(11)29-18/h3-10,15H,2,21H2,1H3/b23-16-
InChIKey
ZLOAMEJSBQWINK-KQWNVCNZSA-N
Compound name
(5Z)-4-(1,3-benzoxazol-2-yl)-1-(2-ethoxyphenyl)-5-hydrazinylidenepiperidine-2,3,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.11206 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.11934 191.5
[M+Na]+ 415.10128 201.3
[M-H]- 391.10478 202.3
[M+NH4]+ 410.14588 201.2
[M+K]+ 431.07522 197.4
[M+H-H2O]+ 375.10932 180.9
[M+HCOO]- 437.11026 213.4
[M+CH3COO]- 451.12591 227.9
[M+Na-2H]- 413.08673 193.3
[M]+ 392.11151 194.7
[M]- 392.11261 194.7
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.