CID 15165099

Piperazinone, 1-(2-(cyclohexylamino)ethyl)-3,3,5,5-tetramethyl-

Structural Information

Molecular Formula
C16H31N3O
SMILES
CC1(CN(C(=O)C(N1)(C)C)CCNC2CCCCC2)C
InChI
InChI=1S/C16H31N3O/c1-15(2)12-19(14(20)16(3,4)18-15)11-10-17-13-8-6-5-7-9-13/h13,17-18H,5-12H2,1-4H3
InChIKey
BXYLMCLXGCYKJB-UHFFFAOYSA-N
Compound name
1-[2-(cyclohexylamino)ethyl]-3,3,5,5-tetramethylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

45
Patents

281.2467 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.25398 171.0
[M+Na]+ 304.23592 174.4
[M-H]- 280.23942 172.1
[M+NH4]+ 299.28052 187.1
[M+K]+ 320.20986 170.9
[M+H-H2O]+ 264.24396 163.3
[M+HCOO]- 326.24490 183.3
[M+CH3COO]- 340.26055 201.9
[M+Na-2H]- 302.22137 172.2
[M]+ 281.24615 163.4
[M]- 281.24725 163.4
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

patents stripe