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]+ 325.227426 182.7
[M+Na]+ 347.209368 186.1
[M-H]- 323.212874 186.9
[M+NH4]+ 342.253973 197.5
[M+K]+ 363.183308 182.5
[M+H-H2O]+ 307.217410 175.0
[M+HCOO]- 369.218351 202.0
[M+CH3COO]- 383.234001 220.4
[M+Na-2H]- 345.194816 184.4
[M]+ 324.21960142 183.0
[M]- 324.22069858 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.