CID 130936

Zk-119010

Structural Information

Molecular Formula
C25H32N2O2
SMILES
CC1=C(N(C2=C1C=C(C=C2)O)CCCCCCN3CCCC3)C4=CC=C(C=C4)O
InChI
InChI=1S/C25H32N2O2/c1-19-23-18-22(29)12-13-24(23)27(25(19)20-8-10-21(28)11-9-20)17-5-3-2-4-14-26-15-6-7-16-26/h8-13,18,28-29H,2-7,14-17H2,1H3
InChIKey
SACIXOLGIWUXTG-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)-3-methyl-1-(6-pyrrolidin-1-ylhexyl)indol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

15
Patents

392.24637 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.253646 198.8
[M+Na]+ 415.235588 205.2
[M-H]- 391.239094 204.4
[M+NH4]+ 410.280193 210.9
[M+K]+ 431.209528 197.6
[M+H-H2O]+ 375.243630 189.5
[M+HCOO]- 437.244571 215.3
[M+CH3COO]- 451.260221 207.2
[M+Na-2H]- 413.221036 195.1
[M]+ 392.24582142 200.1
[M]- 392.24691858 200.1
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