CID 20598

4509-85-7

Structural Information

Molecular Formula
C22H26N2
SMILES
C1CCCN(CC1)CCC2=C(NC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C22H26N2/c1-2-9-16-24(15-8-1)17-14-20-19-12-6-7-13-21(19)23-22(20)18-10-4-3-5-11-18/h3-7,10-13,23H,1-2,8-9,14-17H2
InChIKey
SXZFPSNZDICOEH-UHFFFAOYSA-N
Compound name
3-[2-(azepan-1-yl)ethyl]-2-phenyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

318.2096 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.21688 179.6
[M+Na]+ 341.19882 184.0
[M-H]- 317.20232 186.3
[M+NH4]+ 336.24342 191.9
[M+K]+ 357.17276 179.9
[M+H-H2O]+ 301.20686 170.1
[M+HCOO]- 363.20780 195.7
[M+CH3COO]- 377.22345 188.1
[M+Na-2H]- 339.18427 181.1
[M]+ 318.20905 172.5
[M]- 318.21015 172.5
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