CID 120162

U 11555a

Structural Information

Molecular Formula
C28H31NO2
SMILES
CCN(CC)CCOC1=CC=C(C=C1)C2=C(CC3=C2C=CC(=C3)OC)C4=CC=CC=C4
InChI
InChI=1S/C28H31NO2/c1-4-29(5-2)17-18-31-24-13-11-22(12-14-24)28-26-16-15-25(30-3)19-23(26)20-27(28)21-9-7-6-8-10-21/h6-16,19H,4-5,17-18,20H2,1-3H3
InChIKey
MIKVNWFEJDLXQE-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[4-(5-methoxy-2-phenyl-3H-inden-1-yl)phenoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

413.23547 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.24275 206.1
[M+Na]+ 436.22469 211.5
[M-H]- 412.22819 217.4
[M+NH4]+ 431.26929 219.3
[M+K]+ 452.19863 206.1
[M+H-H2O]+ 396.23273 195.6
[M+HCOO]- 458.23367 229.1
[M+CH3COO]- 472.24932 233.6
[M+Na-2H]- 434.21014 205.8
[M]+ 413.23492 211.3
[M]- 413.23602 211.3
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.