CID 360724

Nsc623060

Structural Information

Molecular Formula
C20H14N2O5
SMILES
CC1=CC(=C(C=C1)C)N2C(=O)C(=O)C(C(=O)C2=O)C3=NC4=CC=CC=C4O3
InChI
InChI=1S/C20H14N2O5/c1-10-7-8-11(2)13(9-10)22-19(25)16(23)15(17(24)20(22)26)18-21-12-5-3-4-6-14(12)27-18/h3-9,15H,1-2H3
InChIKey
VOJIXMPUEWRUGI-UHFFFAOYSA-N
Compound name
4-(1,3-benzoxazol-2-yl)-1-(2,5-dimethylphenyl)piperidine-2,3,5,6-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.09027 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.09755 183.1
[M+Na]+ 385.07949 195.3
[M-H]- 361.08299 193.5
[M+NH4]+ 380.12409 194.6
[M+K]+ 401.05343 190.9
[M+H-H2O]+ 345.08753 173.7
[M+HCOO]- 407.08847 202.1
[M+CH3COO]- 421.10412 195.0
[M+Na-2H]- 383.06494 183.3
[M]+ 362.08972 187.3
[M]- 362.09082 187.3
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.