CID 213646

Brn 0503800

Structural Information

Molecular Formula
C30H33N3O2
SMILES
COC1=CC=C(C=C1)C(=O)NC2CCN(CC2)CCC3=CN(C4=CC=CC=C43)CC5=CC=CC=C5
InChI
InChI=1S/C30H33N3O2/c1-35-27-13-11-24(12-14-27)30(34)31-26-16-19-32(20-17-26)18-15-25-22-33(21-23-7-3-2-4-8-23)29-10-6-5-9-28(25)29/h2-14,22,26H,15-21H2,1H3,(H,31,34)
InChIKey
IPRYAECWQMIFTP-UHFFFAOYSA-N
Compound name
N-[1-[2-(1-benzylindol-3-yl)ethyl]piperidin-4-yl]-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

467.25726 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.26454 216.3
[M+Na]+ 490.24648 219.5
[M-H]- 466.24998 225.8
[M+NH4]+ 485.29108 222.8
[M+K]+ 506.22042 211.8
[M+H-H2O]+ 450.25452 203.0
[M+HCOO]- 512.25546 232.7
[M+CH3COO]- 526.27111 222.6
[M+Na-2H]- 488.23193 215.1
[M]+ 467.25671 214.9
[M]- 467.25781 214.9
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