CID 360995

Nsc623727

Structural Information

Molecular Formula
C24H22N2O5
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)N2C(=O)C(=O)C(C(=O)C2=O)C3=NC4=CC=CC=C4O3
InChI
InChI=1S/C24H22N2O5/c1-12(2)14-8-7-9-15(13(3)4)19(14)26-23(29)20(27)18(21(28)24(26)30)22-25-16-10-5-6-11-17(16)31-22/h5-13,18H,1-4H3
InChIKey
DYZHWMSSVRCWIL-UHFFFAOYSA-N
Compound name
4-(1,3-benzoxazol-2-yl)-1-[2,6-di(propan-2-yl)phenyl]piperidine-2,3,5,6-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.15286 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.16014 199.6
[M+Na]+ 441.14208 209.1
[M-H]- 417.14558 209.4
[M+NH4]+ 436.18668 208.6
[M+K]+ 457.11602 205.3
[M+H-H2O]+ 401.15012 190.0
[M+HCOO]- 463.15106 215.2
[M+CH3COO]- 477.16671 231.1
[M+Na-2H]- 439.12753 195.8
[M]+ 418.15231 204.0
[M]- 418.15341 204.0
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.