CID 3068692

2-naphthaleneethanamine, 1,2-dihydro-n,n-dimethyl-4-(2-fluorophenyl)-, (z)-2-butenedioate (1:1)

Structural Information

Molecular Formula
C20H22FN
SMILES
CN(C)CCC1CC2=CC=CC=C2C(=C1)C3=CC=CC=C3F
InChI
InChI=1S/C20H22FN/c1-22(2)12-11-15-13-16-7-3-4-8-17(16)19(14-15)18-9-5-6-10-20(18)21/h3-10,14-15H,11-13H2,1-2H3
InChIKey
YMSYATVMMKAIES-UHFFFAOYSA-N
Compound name
2-[4-(2-fluorophenyl)-1,2-dihydronaphthalen-2-yl]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1736 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.18088 170.6
[M+Na]+ 318.16282 177.1
[M-H]- 294.16632 177.6
[M+NH4]+ 313.20742 187.3
[M+K]+ 334.13676 172.0
[M+H-H2O]+ 278.17086 160.9
[M+HCOO]- 340.17180 191.7
[M+CH3COO]- 354.18745 212.3
[M+Na-2H]- 316.14827 174.3
[M]+ 295.17305 169.5
[M]- 295.17415 169.5
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.