CID 3024429

2964 i.s.

Structural Information

Molecular Formula
C18H28N2O
SMILES
CCN(CC)CCN1CCC(CC1)(C=O)C2=CC=CC=C2
InChI
InChI=1S/C18H28N2O/c1-3-19(4-2)14-15-20-12-10-18(16-21,11-13-20)17-8-6-5-7-9-17/h5-9,16H,3-4,10-15H2,1-2H3
InChIKey
XXGCNXUAIZMHIS-UHFFFAOYSA-N
Compound name
1-[2-(diethylamino)ethyl]-4-phenylpiperidine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.22015 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.227426 172.0
[M+Na]+ 311.209368 175.1
[M-H]- 287.212874 177.0
[M+NH4]+ 306.253973 188.0
[M+K]+ 327.183308 172.3
[M+H-H2O]+ 271.217410 162.9
[M+HCOO]- 333.218351 191.3
[M+CH3COO]- 347.234001 207.8
[M+Na-2H]- 309.194816 174.9
[M]+ 288.21960142 170.5
[M]- 288.22069858 170.5
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.