CID 9578709

Brn 1484075

Structural Information

Molecular Formula
C17H22N2O2
SMILES
CCC1(C(=O)C(CN(C1=O)/N=C/C2=CC=CC=C2)C)CC
InChI
InChI=1S/C17H22N2O2/c1-4-17(5-2)15(20)13(3)12-19(16(17)21)18-11-14-9-7-6-8-10-14/h6-11,13H,4-5,12H2,1-3H3/b18-11+
InChIKey
BLDVHRWFMXRGDM-WOJGMQOQSA-N
Compound name
1-[(E)-benzylideneamino]-3,3-diethyl-5-methylpiperidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.16812 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17540 166.4
[M+Na]+ 309.15734 173.8
[M-H]- 285.16084 172.9
[M+NH4]+ 304.20194 183.5
[M+K]+ 325.13128 170.2
[M+H-H2O]+ 269.16538 158.3
[M+HCOO]- 331.16632 187.7
[M+CH3COO]- 345.18197 207.3
[M+Na-2H]- 307.14279 169.3
[M]+ 286.16757 166.5
[M]- 286.16867 166.5
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.