CID 99706

50765-98-5

Structural Information

Molecular Formula
C21H28N2O
SMILES
CC(=CCC(CCN(C)C)(C1=CC2=CC=CC=C2C=C1)C(=O)N)C
InChI
InChI=1S/C21H28N2O/c1-16(2)11-12-21(20(22)24,13-14-23(3)4)19-10-9-17-7-5-6-8-18(17)15-19/h5-11,15H,12-14H2,1-4H3,(H2,22,24)
InChIKey
LANDSJLNLKENGO-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-5-methyl-2-naphthalen-2-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 182.7
[M+Na]+ 347.20937 186.1
[M-H]- 323.21287 186.9
[M+NH4]+ 342.25397 197.5
[M+K]+ 363.18331 182.5
[M+H-H2O]+ 307.21741 175.0
[M+HCOO]- 369.21835 202.0
[M+CH3COO]- 383.23400 220.4
[M+Na-2H]- 345.19482 184.4
[M]+ 324.21960 183.0
[M]- 324.22070 183.0
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.