CID 118829

35471-87-5

Structural Information

Molecular Formula
C20H27NO
SMILES
CCN(CC)CCCOC(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C20H27NO/c1-3-21(4-2)16-11-17-22-20(18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15,20H,3-4,11,16-17H2,1-2H3
InChIKey
BSTGBFUSUWSITK-UHFFFAOYSA-N
Compound name
3-benzhydryloxy-N,N-diethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

297.20926 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.21654 175.6
[M+Na]+ 320.19848 178.5
[M-H]- 296.20198 182.1
[M+NH4]+ 315.24308 190.5
[M+K]+ 336.17242 175.4
[M+H-H2O]+ 280.20652 166.4
[M+HCOO]- 342.20746 198.6
[M+CH3COO]- 356.22311 211.1
[M+Na-2H]- 318.18393 178.7
[M]+ 297.20871 178.0
[M]- 297.20981 178.0
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