CID 5932979

Nsc623049

Structural Information

Molecular Formula
C20H16N4O4
SMILES
CC1=CC(=C(C=C1)C)N2C(=O)/C(=N\N)/C(C(=O)C2=O)C3=NC4=CC=CC=C4O3
InChI
InChI=1S/C20H16N4O4/c1-10-7-8-11(2)13(9-10)24-19(26)16(23-21)15(17(25)20(24)27)18-22-12-5-3-4-6-14(12)28-18/h3-9,15H,21H2,1-2H3/b23-16-
InChIKey
NSDVLMSARMOEIT-KQWNVCNZSA-N
Compound name
(5Z)-4-(1,3-benzoxazol-2-yl)-1-(2,5-dimethylphenyl)-5-hydrazinylidenepiperidine-2,3,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.11716 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.12444 190.4
[M+Na]+ 399.10638 201.5
[M-H]- 375.10988 201.6
[M+NH4]+ 394.15098 201.3
[M+K]+ 415.08032 196.8
[M+H-H2O]+ 359.11442 180.2
[M+HCOO]- 421.11536 212.1
[M+CH3COO]- 435.13101 201.7
[M+Na-2H]- 397.09183 191.1
[M]+ 376.11661 192.7
[M]- 376.11771 192.7
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.