CID 213635

Brn 0500977

Structural Information

Molecular Formula
C28H29N3O
SMILES
C1CN(CCC1NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)CCC4=CNC5=CC=CC=C54
InChI
InChI=1S/C28H29N3O/c32-28(23-12-10-22(11-13-23)21-6-2-1-3-7-21)30-25-15-18-31(19-16-25)17-14-24-20-29-27-9-5-4-8-26(24)27/h1-13,20,25,29H,14-19H2,(H,30,32)
InChIKey
HQRMIRJCEASARN-UHFFFAOYSA-N
Compound name
N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-4-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.23105 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.23833 202.9
[M+Na]+ 446.22027 206.1
[M-H]- 422.22377 211.2
[M+NH4]+ 441.26487 210.4
[M+K]+ 462.19421 197.1
[M+H-H2O]+ 406.22831 190.5
[M+HCOO]- 468.22925 218.6
[M+CH3COO]- 482.24490 209.5
[M+Na-2H]- 444.20572 203.2
[M]+ 423.23050 197.5
[M]- 423.23160 197.5
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

No patent data available for this compound.