CID 361037

Nsc623771

Structural Information

Molecular Formula
C20H14N2O6
SMILES
CCOC1=CC=CC=C1N2C(=O)C(=O)C(C(=O)C2=O)C3=NC4=CC=CC=C4O3
InChI
InChI=1S/C20H14N2O6/c1-2-27-14-10-6-4-8-12(14)22-19(25)16(23)15(17(24)20(22)26)18-21-11-7-3-5-9-13(11)28-18/h3-10,15H,2H2,1H3
InChIKey
HWWBJNVQKDVLJL-UHFFFAOYSA-N
Compound name
4-(1,3-benzoxazol-2-yl)-1-(2-ethoxyphenyl)piperidine-2,3,5,6-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.08517 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.09245 185.2
[M+Na]+ 401.07439 196.2
[M-H]- 377.07789 195.3
[M+NH4]+ 396.11899 195.7
[M+K]+ 417.04833 192.6
[M+H-H2O]+ 361.08243 175.4
[M+HCOO]- 423.08337 204.4
[M+CH3COO]- 437.09902 218.5
[M+Na-2H]- 399.05984 186.4
[M]+ 378.08462 190.4
[M]- 378.08572 190.4
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.