CID 361026

Nsc623760

Structural Information

Molecular Formula
C18H9ClN2O5
SMILES
C1=CC=C2C(=C1)N=C(O2)C3C(=O)C(=O)N(C(=O)C3=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C18H9ClN2O5/c19-9-5-7-10(8-6-9)21-17(24)14(22)13(15(23)18(21)25)16-20-11-3-1-2-4-12(11)26-16/h1-8,13H
InChIKey
PNDPTEHDMOMJMM-UHFFFAOYSA-N
Compound name
4-(1,3-benzoxazol-2-yl)-1-(4-chlorophenyl)piperidine-2,3,5,6-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.02 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.02728 181.3
[M+Na]+ 391.00922 194.2
[M-H]- 367.01272 191.4
[M+NH4]+ 386.05382 193.2
[M+K]+ 406.98316 188.9
[M+H-H2O]+ 351.01726 172.3
[M+HCOO]- 413.01820 196.4
[M+CH3COO]- 427.03385 193.3
[M+Na-2H]- 388.99467 182.7
[M]+ 368.01945 186.7
[M]- 368.02055 186.7
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.