CID 20764

Brn 0319389

Structural Information

Molecular Formula
C25H26N2O
SMILES
CN(CCC1=CNC2=C1C=C(C=C2)OCC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C25H26N2O/c1-27(18-20-8-4-2-5-9-20)15-14-22-17-26-25-13-12-23(16-24(22)25)28-19-21-10-6-3-7-11-21/h2-13,16-17,26H,14-15,18-19H2,1H3
InChIKey
YYZWLIHUCDJTCJ-UHFFFAOYSA-N
Compound name
N-benzyl-N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

370.2045 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.21178 191.1
[M+Na]+ 393.19372 196.8
[M-H]- 369.19722 199.9
[M+NH4]+ 388.23832 203.7
[M+K]+ 409.16766 189.9
[M+H-H2O]+ 353.20176 180.4
[M+HCOO]- 415.20270 213.7
[M+CH3COO]- 429.21835 200.8
[M+Na-2H]- 391.17917 194.7
[M]+ 370.20395 193.4
[M]- 370.20505 193.4
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