CID 213616

Brn 0501854

Structural Information

Molecular Formula
C23H25N3O2
SMILES
C1CN(CC=C1NC(=O)OCC2=CC=CC=C2)CCC3=CNC4=CC=CC=C43
InChI
InChI=1S/C23H25N3O2/c27-23(28-17-18-6-2-1-3-7-18)25-20-11-14-26(15-12-20)13-10-19-16-24-22-9-5-4-8-21(19)22/h1-9,11,16,24H,10,12-15,17H2,(H,25,27)
InChIKey
XWOKEKXIYQRKRR-UHFFFAOYSA-N
Compound name
benzyl N-[1-[2-(1H-indol-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.19467 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.20195 189.3
[M+Na]+ 398.18389 193.6
[M-H]- 374.18739 195.1
[M+NH4]+ 393.22849 199.4
[M+K]+ 414.15783 186.7
[M+H-H2O]+ 358.19193 178.3
[M+HCOO]- 420.19287 207.4
[M+CH3COO]- 434.20852 197.4
[M+Na-2H]- 396.16934 191.9
[M]+ 375.19412 187.4
[M]- 375.19522 187.4
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.