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

27
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 206.3
[M+Na]+ 436.22469 221.7
[M+NH4]+ 431.26929 215.3
[M+K]+ 452.19863 212.6
[M-H]- 412.22819 214.9
[M+Na-2H]- 434.21014 215.9
[M]+ 413.23492 211.2
[M]- 413.23602 211.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe