CID 99694

30301-12-3

Structural Information

Molecular Formula
C23H31NO
SMILES
CCC(C)C(CCN1CCCCC1)(C=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C23H31NO/c1-3-19(2)23(18-25,14-17-24-15-7-4-8-16-24)22-13-9-11-20-10-5-6-12-21(20)22/h5-6,9-13,18-19H,3-4,7-8,14-17H2,1-2H3
InChIKey
YPGPWXLXVVXECZ-UHFFFAOYSA-N
Compound name
3-methyl-2-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)pentanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.24057 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.24785 186.6
[M+Na]+ 360.22979 199.0
[M+NH4]+ 355.27439 194.9
[M+K]+ 376.20373 190.1
[M-H]- 336.23329 190.7
[M+Na-2H]- 358.21524 193.2
[M]+ 337.24002 189.6
[M]- 337.24112 189.6
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.