CID 213644

Brn 0503355

Structural Information

Molecular Formula
C29H31N3O
SMILES
C1CN(CCC1NC(=O)C2=CC=CC=C2)CCC3=CN(C4=CC=CC=C43)CC5=CC=CC=C5
InChI
InChI=1S/C29H31N3O/c33-29(24-11-5-2-6-12-24)30-26-16-19-31(20-17-26)18-15-25-22-32(21-23-9-3-1-4-10-23)28-14-8-7-13-27(25)28/h1-14,22,26H,15-21H2,(H,30,33)
InChIKey
IQIDVJQJGBJJFQ-UHFFFAOYSA-N
Compound name
N-[1-[2-(1-benzylindol-3-yl)ethyl]piperidin-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

437.2467 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.25398 208.2
[M+Na]+ 460.23592 211.3
[M-H]- 436.23942 217.5
[M+NH4]+ 455.28052 215.7
[M+K]+ 476.20986 202.9
[M+H-H2O]+ 420.24396 195.0
[M+HCOO]- 482.24490 224.9
[M+CH3COO]- 496.26055 214.9
[M+Na-2H]- 458.22137 208.2
[M]+ 437.24615 204.7
[M]- 437.24725 204.7
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