CID 6160690

185259-85-2

Structural Information

Molecular Formula
C23H27N3O2
SMILES
CN(C)CCC1=CNC2=C1C=C(C=C2)/C=C/C(=O)NCC3=CC=C(C=C3)OC
InChI
InChI=1S/C23H27N3O2/c1-26(2)13-12-19-16-24-22-10-6-17(14-21(19)22)7-11-23(27)25-15-18-4-8-20(28-3)9-5-18/h4-11,14,16,24H,12-13,15H2,1-3H3,(H,25,27)/b11-7+
InChIKey
LBVZWEWTNUDWNS-YRNVUSSQSA-N
Compound name
(E)-3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-[(4-methoxyphenyl)methyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

27
References

37
Patents

377.21033 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.21761 194.6
[M+Na]+ 400.19955 206.2
[M+NH4]+ 395.24415 200.9
[M+K]+ 416.17349 200.0
[M-H]- 376.20305 198.7
[M+Na-2H]- 398.18500 200.7
[M]+ 377.20978 197.2
[M]- 377.21088 197.2
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