CID 99120

50765-88-3

Structural Information

Molecular Formula
C22H30N2O
SMILES
CCN(C)CCC(CC=C(C)C)(C1=CC=CC2=CC=CC=C21)C(=O)N
InChI
InChI=1S/C22H30N2O/c1-5-24(4)16-15-22(21(23)25,14-13-17(2)3)20-12-8-10-18-9-6-7-11-19(18)20/h6-13H,5,14-16H2,1-4H3,(H2,23,25)
InChIKey
BJFPXELCDQCHFX-UHFFFAOYSA-N
Compound name
2-[2-[ethyl(methyl)amino]ethyl]-5-methyl-2-naphthalen-1-ylhex-4-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.2358 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.24308 187.4
[M+Na]+ 361.22502 190.3
[M-H]- 337.22852 191.3
[M+NH4]+ 356.26962 201.6
[M+K]+ 377.19896 186.5
[M+H-H2O]+ 321.23306 179.5
[M+HCOO]- 383.23400 206.3
[M+CH3COO]- 397.24965 223.3
[M+Na-2H]- 359.21047 188.5
[M]+ 338.23525 188.0
[M]- 338.23635 188.0
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.