CID 45878

63978-98-3

Structural Information

Molecular Formula
C19H22ClNO
SMILES
CN(C)C1CCCC2=C(C=CC(=C12)Cl)OCC3=CC=CC=C3
InChI
InChI=1S/C19H22ClNO/c1-21(2)17-10-6-9-15-18(12-11-16(20)19(15)17)22-13-14-7-4-3-5-8-14/h3-5,7-8,11-12,17H,6,9-10,13H2,1-2H3
InChIKey
KOZPQSGETDPGNO-UHFFFAOYSA-N
Compound name
8-chloro-N,N-dimethyl-5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.13898 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.14626 174.4
[M+Na]+ 338.12820 181.0
[M-H]- 314.13170 182.4
[M+NH4]+ 333.17280 191.2
[M+K]+ 354.10214 175.8
[M+H-H2O]+ 298.13624 166.4
[M+HCOO]- 360.13718 191.1
[M+CH3COO]- 374.15283 212.6
[M+Na-2H]- 336.11365 177.8
[M]+ 315.13843 176.5
[M]- 315.13953 176.5
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.