CID 3056457

Brn 0841403

Structural Information

Molecular Formula
C20H34N2O4
SMILES
CC(C)C(=O)C(C)(C)C(=O)N1CCN(CC1)C(=O)C(C)(C)C(=O)C(C)C
InChI
InChI=1S/C20H34N2O4/c1-13(2)15(23)19(5,6)17(25)21-9-11-22(12-10-21)18(26)20(7,8)16(24)14(3)4/h13-14H,9-12H2,1-8H3
InChIKey
DSSBDBBSOUYIGJ-UHFFFAOYSA-N
Compound name
2,2,4-trimethyl-1-[4-(2,2,4-trimethyl-3-oxopentanoyl)piperazin-1-yl]pentane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.25186 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.25914 183.6
[M+Na]+ 389.24108 185.0
[M-H]- 365.24458 183.0
[M+NH4]+ 384.28568 193.1
[M+K]+ 405.21502 185.1
[M+H-H2O]+ 349.24912 177.4
[M+HCOO]- 411.25006 190.6
[M+CH3COO]- 425.26571 221.2
[M+Na-2H]- 387.22653 179.3
[M]+ 366.25131 183.3
[M]- 366.25241 183.3
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.