CID 38491

40494-48-2

Structural Information

Molecular Formula
C21H27NO
SMILES
CN(C)CCOC1(CCCCC2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C21H27NO/c1-22(2)16-17-23-21(19-12-4-3-5-13-19)15-9-8-11-18-10-6-7-14-20(18)21/h3-7,10,12-14H,8-9,11,15-17H2,1-2H3
InChIKey
LUQRSWIPLKDXKS-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[(5-phenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)oxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.20926 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21654 175.1
[M+Na]+ 332.19848 186.4
[M+NH4]+ 327.24308 185.2
[M+K]+ 348.17242 177.1
[M-H]- 308.20198 181.0
[M+Na-2H]- 330.18393 184.6
[M]+ 309.20871 178.7
[M]- 309.20981 178.7
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.