CID 45854

1-naphthylamine, 1,2,3,4-tetrahydro-8-chloro-n,n-dimethyl-5-(3-trifluoromethylbenzyloxy)-, hydrobromide

Structural Information

Molecular Formula
C20H21ClF3NO
SMILES
CN(C)C1CCCC2=C(C=CC(=C12)Cl)OCC3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C20H21ClF3NO/c1-25(2)17-8-4-7-15-18(10-9-16(21)19(15)17)26-12-13-5-3-6-14(11-13)20(22,23)24/h3,5-6,9-11,17H,4,7-8,12H2,1-2H3
InChIKey
KFYFCDDRUIDUKL-UHFFFAOYSA-N
Compound name
8-chloro-N,N-dimethyl-5-[[3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.12637 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.13365 187.1
[M+Na]+ 406.11559 198.2
[M+NH4]+ 401.16019 193.9
[M+K]+ 422.08953 190.2
[M-H]- 382.11909 188.2
[M+Na-2H]- 404.10104 192.3
[M]+ 383.12582 189.2
[M]- 383.12692 189.2
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.