CID 3024511

Brn 1549083

Structural Information

Molecular Formula
C21H32N2O2
SMILES
CCCN(CCC)CCC(=O)N1CCC(CC1)(C=O)C2=CC=CC=C2
InChI
InChI=1S/C21H32N2O2/c1-3-13-22(14-4-2)15-10-20(25)23-16-11-21(18-24,12-17-23)19-8-6-5-7-9-19/h5-9,18H,3-4,10-17H2,1-2H3
InChIKey
QAJQHXZERVNBEU-UHFFFAOYSA-N
Compound name
1-[3-(dipropylamino)propanoyl]-4-phenylpiperidine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.24637 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.25365 188.0
[M+Na]+ 367.23559 197.7
[M+NH4]+ 362.28019 195.8
[M+K]+ 383.20953 188.3
[M-H]- 343.23909 191.2
[M+Na-2H]- 365.22104 194.5
[M]+ 344.24582 190.2
[M]- 344.24692 190.2
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.