CID 362281

Nsc625892

Structural Information

Molecular Formula
C21H16N2O5
SMILES
CCC1=CC=CC(=C1N2C(=O)C(=O)C(C(=O)C2=O)C3=NC4=CC=CC=C4O3)C
InChI
InChI=1S/C21H16N2O5/c1-3-12-8-6-7-11(2)16(12)23-20(26)17(24)15(18(25)21(23)27)19-22-13-9-4-5-10-14(13)28-19/h4-10,15H,3H2,1-2H3
InChIKey
SQNGJEJAKFTHFJ-UHFFFAOYSA-N
Compound name
4-(1,3-benzoxazol-2-yl)-1-(2-ethyl-6-methylphenyl)piperidine-2,3,5,6-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.10593 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.11321 187.7
[M+Na]+ 399.09515 199.4
[M-H]- 375.09865 197.9
[M+NH4]+ 394.13975 198.6
[M+K]+ 415.06909 194.8
[M+H-H2O]+ 359.10319 178.1
[M+HCOO]- 421.10413 206.3
[M+CH3COO]- 435.11978 220.5
[M+Na-2H]- 397.08060 187.4
[M]+ 376.10538 192.2
[M]- 376.10648 192.2
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.