CID 99117

50765-87-2

Structural Information

Molecular Formula
C21H28N2O
SMILES
CC(=CCC(CCN(C)C)(C1=CC=CC2=CC=CC=C21)C(=O)N)C
InChI
InChI=1S/C21H28N2O/c1-16(2)12-13-21(20(22)24,14-15-23(3)4)19-11-7-9-17-8-5-6-10-18(17)19/h5-12H,13-15H2,1-4H3,(H2,22,24)
InChIKey
GNFSPFYMMKMHOG-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-5-methyl-2-naphthalen-1-ylhex-4-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.22015 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.22743 182.1
[M+Na]+ 347.20937 191.9
[M+NH4]+ 342.25397 189.1
[M+K]+ 363.18331 185.4
[M-H]- 323.21287 184.9
[M+Na-2H]- 345.19482 186.8
[M]+ 324.21960 184.1
[M]- 324.22070 184.1
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.