CID 21117747

1505-91-5

Structural Information

Molecular Formula
C20H28N2O
SMILES
CCC(C)C(CCN(C)C)(C1=CC=CC2=CC=CC=C21)C(=O)N
InChI
InChI=1S/C20H28N2O/c1-5-15(2)20(19(21)23,13-14-22(3)4)18-12-8-10-16-9-6-7-11-17(16)18/h6-12,15H,5,13-14H2,1-4H3,(H2,21,23)
InChIKey
BZQRMOJOFMIRFL-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-1-ylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.22015 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.22743 179.2
[M+Na]+ 335.20937 182.6
[M-H]- 311.21287 183.5
[M+NH4]+ 330.25397 194.5
[M+K]+ 351.18331 179.9
[M+H-H2O]+ 295.21741 171.6
[M+HCOO]- 357.21835 198.6
[M+CH3COO]- 371.23400 218.9
[M+Na-2H]- 333.19482 181.3
[M]+ 312.21960 179.9
[M]- 312.22070 179.9
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.