CID 40914

Agn-2979

Structural Information

Molecular Formula
C19H28N2O3
SMILES
CC1(CC(=O)NC(=O)C1(CCCN(C)C)C2=CC(=CC=C2)OC)C
InChI
InChI=1S/C19H28N2O3/c1-18(2)13-16(22)20-17(23)19(18,10-7-11-21(3)4)14-8-6-9-15(12-14)24-5/h6,8-9,12H,7,10-11,13H2,1-5H3,(H,20,22,23)
InChIKey
UJFNSGBGJMRZKS-UHFFFAOYSA-N
Compound name
3-[3-(dimethylamino)propyl]-3-(3-methoxyphenyl)-4,4-dimethylpiperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

58
Patents

332.21 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.21728 177.5
[M+Na]+ 355.19922 183.8
[M-H]- 331.20272 182.5
[M+NH4]+ 350.24382 193.9
[M+K]+ 371.17316 181.2
[M+H-H2O]+ 315.20726 170.2
[M+HCOO]- 377.20820 195.6
[M+CH3COO]- 391.22385 215.0
[M+Na-2H]- 353.18467 179.4
[M]+ 332.20945 178.6
[M]- 332.21055 178.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe