CID 104593

53725-55-6

Structural Information

Molecular Formula
C22H33N3O
SMILES
CC1(CC(=CC(N1C(=O)CN2CCN(CC2)C)(C)C)C3=CC=CC=C3)C
InChI
InChI=1S/C22H33N3O/c1-21(2)15-19(18-9-7-6-8-10-18)16-22(3,4)25(21)20(26)17-24-13-11-23(5)12-14-24/h6-10,15H,11-14,16-17H2,1-5H3
InChIKey
GVEINSAHFGPQIN-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-1-(2,2,6,6-tetramethyl-4-phenyl-3H-pyridin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.26236 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.26964 190.0
[M+Na]+ 378.25158 195.1
[M-H]- 354.25508 194.6
[M+NH4]+ 373.29618 202.5
[M+K]+ 394.22552 190.6
[M+H-H2O]+ 338.25962 178.9
[M+HCOO]- 400.26056 201.2
[M+CH3COO]- 414.27621 216.8
[M+Na-2H]- 376.23703 189.5
[M]+ 355.26181 185.8
[M]- 355.26291 185.8
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.