CID 360700

Nsc623036

Structural Information

Molecular Formula
C18H8Cl2N2O5
SMILES
C1=CC=C2C(=C1)N=C(O2)C3C(=O)C(=O)N(C(=O)C3=O)C4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C18H8Cl2N2O5/c19-9-6-5-8(7-10(9)20)22-17(25)14(23)13(15(24)18(22)26)16-21-11-3-1-2-4-12(11)27-16/h1-7,13H
InChIKey
NABKWJZFWVKHJX-UHFFFAOYSA-N
Compound name
4-(1,3-benzoxazol-2-yl)-1-(3,4-dichlorophenyl)piperidine-2,3,5,6-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.98102 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.98830 188.0
[M+Na]+ 424.97024 201.9
[M-H]- 400.97374 197.6
[M+NH4]+ 420.01484 199.3
[M+K]+ 440.94418 196.0
[M+H-H2O]+ 384.97828 179.5
[M+HCOO]- 446.97922 197.8
[M+CH3COO]- 460.99487 199.4
[M+Na-2H]- 422.95569 187.9
[M]+ 401.98047 195.1
[M]- 401.98157 195.1
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.