CID 202764

Butylamine, n,n-dimethyl-4-(2-benzylphenoxy)-, hydrochloride

Structural Information

Molecular Formula
C19H25NO
SMILES
CN(C)CCCCOC1=CC=CC=C1CC2=CC=CC=C2
InChI
InChI=1S/C19H25NO/c1-20(2)14-8-9-15-21-19-13-7-6-12-18(19)16-17-10-4-3-5-11-17/h3-7,10-13H,8-9,14-16H2,1-2H3
InChIKey
PFJZYHBLAAGRHJ-UHFFFAOYSA-N
Compound name
4-(2-benzylphenoxy)-N,N-dimethylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

283.1936 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.20088 170.3
[M+Na]+ 306.18282 174.9
[M-H]- 282.18632 177.4
[M+NH4]+ 301.22742 186.2
[M+K]+ 322.15676 171.6
[M+H-H2O]+ 266.19086 161.4
[M+HCOO]- 328.19180 194.7
[M+CH3COO]- 342.20745 208.5
[M+Na-2H]- 304.16827 174.5
[M]+ 283.19305 173.4
[M]- 283.19415 173.4
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

patents stripe