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]+ 310.216536 176.0
[M+Na]+ 332.198478 179.0
[M-H]- 308.201984 184.6
[M+NH4]+ 327.243083 192.5
[M+K]+ 348.172418 179.2
[M+H-H2O]+ 292.206520 168.8
[M+HCOO]- 354.207461 196.0
[M+CH3COO]- 368.223111 186.0
[M+Na-2H]- 330.183926 180.6
[M]+ 309.20871142 172.8
[M]- 309.20980858 172.8
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.