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 188.7
[M+Na]+ 406.11559 196.5
[M-H]- 382.11909 193.0
[M+NH4]+ 401.16019 202.9
[M+K]+ 422.08953 190.2
[M+H-H2O]+ 366.12363 178.2
[M+HCOO]- 428.12457 200.2
[M+CH3COO]- 442.14022 224.5
[M+Na-2H]- 404.10104 189.8
[M]+ 383.12582 187.8
[M]- 383.12692 187.8
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.