CID 489663

4-[1-[3-[2-(3-bromophenyl)-5-methyl-1h-indol-3-yl]propylamino]ethyl]phenol

Structural Information

Molecular Formula
C26H27BrN2O
SMILES
CC1=CC2=C(C=C1)NC(=C2CCCNC(C)C3=CC=C(C=C3)O)C4=CC(=CC=C4)Br
InChI
InChI=1S/C26H27BrN2O/c1-17-8-13-25-24(15-17)23(26(29-25)20-5-3-6-21(27)16-20)7-4-14-28-18(2)19-9-11-22(30)12-10-19/h3,5-6,8-13,15-16,18,28-30H,4,7,14H2,1-2H3
InChIKey
AETOHMLXVKWNOR-UHFFFAOYSA-N
Compound name
4-[1-[3-[2-(3-bromophenyl)-5-methyl-1H-indol-3-yl]propylamino]ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

462.13068 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.13796 210.1
[M+Na]+ 485.11990 219.0
[M-H]- 461.12340 219.1
[M+NH4]+ 480.16450 222.3
[M+K]+ 501.09384 203.9
[M+H-H2O]+ 445.12794 206.9
[M+HCOO]- 507.12888 226.7
[M+CH3COO]- 521.14453 219.7
[M+Na-2H]- 483.10535 210.5
[M]+ 462.13013 228.6
[M]- 462.13123 228.6
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

No patent data available for this compound.