CID 91647642

4-(3-chlorophenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile

Structural Information

Molecular Formula
C14H10ClN3O2
SMILES
CC1(C(C(=O)NC(=O)C1C#N)C#N)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C14H10ClN3O2/c1-14(8-3-2-4-9(15)5-8)10(6-16)12(19)18-13(20)11(14)7-17/h2-5,10-11H,1H3,(H,18,19,20)
InChIKey
TUOVZDIOMLOVGI-UHFFFAOYSA-N
Compound name
4-(3-chlorophenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.04614 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.053416 168.9
[M+Na]+ 310.035358 180.9
[M-H]- 286.038864 172.4
[M+NH4]+ 305.079963 180.0
[M+K]+ 326.009298 173.0
[M+H-H2O]+ 270.043400 154.4
[M+HCOO]- 332.044341 175.2
[M+CH3COO]- 346.059991 224.3
[M+Na-2H]- 308.020806 168.9
[M]+ 287.04559142 160.1
[M]- 287.04668858 160.1
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.