CID 43276731

({3,5-dimethyl-4-[(4-methylphenyl)methoxy]phenyl}methyl)(ethyl)amine hydrochloride

Structural Information

Molecular Formula
C19H25NO
SMILES
CCNCC1=CC(=C(C(=C1)C)OCC2=CC=C(C=C2)C)C
InChI
InChI=1S/C19H25NO/c1-5-20-12-18-10-15(3)19(16(4)11-18)21-13-17-8-6-14(2)7-9-17/h6-11,20H,5,12-13H2,1-4H3
InChIKey
LPWUILOCXBEMQG-UHFFFAOYSA-N
Compound name
N-[[3,5-dimethyl-4-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.1936 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.20088 169.5
[M+Na]+ 306.18282 176.8
[M-H]- 282.18632 176.3
[M+NH4]+ 301.22742 185.8
[M+K]+ 322.15676 172.3
[M+H-H2O]+ 266.19086 161.5
[M+HCOO]- 328.19180 193.4
[M+CH3COO]- 342.20745 208.6
[M+Na-2H]- 304.16827 172.3
[M]+ 283.19305 172.6
[M]- 283.19415 172.6
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.