CID 6917760

73966-59-3

Structural Information

Molecular Formula
C23H26N2
SMILES
C1CN(CC=C1C2=CC=CC=C2)CCCCC3=CNC4=CC=CC=C43
InChI
InChI=1S/C23H26N2/c1-2-8-19(9-3-1)20-13-16-25(17-14-20)15-7-6-10-21-18-24-23-12-5-4-11-22(21)23/h1-5,8-9,11-13,18,24H,6-7,10,14-17H2
InChIKey
AACJICLCLVMZKK-UHFFFAOYSA-N
Compound name
3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

4
Patents

330.2096 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.216876 181.5
[M+Na]+ 353.198818 187.2
[M-H]- 329.202324 187.1
[M+NH4]+ 348.243423 194.1
[M+K]+ 369.172758 178.7
[M+H-H2O]+ 313.206860 170.7
[M+HCOO]- 375.207801 199.0
[M+CH3COO]- 389.223451 190.5
[M+Na-2H]- 351.184266 184.1
[M]+ 330.20905142 178.9
[M]- 330.21014858 178.9
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