CID 45885

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

Structural Information

Molecular Formula
C19H21Cl2NO
SMILES
CN(C)C1CCCC2=C(C=CC(=C12)Cl)OCC3=CC(=CC=C3)Cl
InChI
InChI=1S/C19H21Cl2NO/c1-22(2)17-8-4-7-15-18(10-9-16(21)19(15)17)23-12-13-5-3-6-14(20)11-13/h3,5-6,9-11,17H,4,7-8,12H2,1-2H3
InChIKey
SMMQSLJQFZMJBW-UHFFFAOYSA-N
Compound name
8-chloro-5-[(3-chlorophenyl)methoxy]-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.1 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.10728 180.9
[M+Na]+ 372.08922 188.8
[M-H]- 348.09272 188.3
[M+NH4]+ 367.13382 197.0
[M+K]+ 388.06316 182.5
[M+H-H2O]+ 332.09726 173.7
[M+HCOO]- 394.09820 192.4
[M+CH3COO]- 408.11385 191.4
[M+Na-2H]- 370.07467 182.7
[M]+ 349.09945 184.8
[M]- 349.10055 184.8
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.