CID 3024403

3138 i.s.

Structural Information

Molecular Formula
C19H28N2O2
SMILES
CCN(CC)CCC(=O)N1CCC(CC1)(C=O)C2=CC=CC=C2
InChI
InChI=1S/C19H28N2O2/c1-3-20(4-2)13-10-18(23)21-14-11-19(16-22,12-15-21)17-8-6-5-7-9-17/h5-9,16H,3-4,10-15H2,1-2H3
InChIKey
QOGHKTAUEOAMAW-UHFFFAOYSA-N
Compound name
1-[3-(diethylamino)propanoyl]-4-phenylpiperidine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.2151 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.22238 178.6
[M+Na]+ 339.20432 181.3
[M-H]- 315.20782 183.6
[M+NH4]+ 334.24892 193.4
[M+K]+ 355.17826 178.9
[M+H-H2O]+ 299.21236 169.5
[M+HCOO]- 361.21330 197.0
[M+CH3COO]- 375.22895 212.2
[M+Na-2H]- 337.18977 180.0
[M]+ 316.21455 177.6
[M]- 316.21565 177.6
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.