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]+ 393.25365 198.8
[M+Na]+ 415.23559 205.2
[M-H]- 391.23909 204.4
[M+NH4]+ 410.28019 210.9
[M+K]+ 431.20953 197.6
[M+H-H2O]+ 375.24363 189.5
[M+HCOO]- 437.24457 215.3
[M+CH3COO]- 451.26022 207.2
[M+Na-2H]- 413.22104 195.1
[M]+ 392.24582 200.1
[M]- 392.24692 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.