CID 215413

Brn 0435117

Structural Information

Molecular Formula
C18H23N3O
SMILES
CC1=C(C2=CC=CC=C2N1)CCN3CCC(=CC3)NC(=O)C
InChI
InChI=1S/C18H23N3O/c1-13-16(17-5-3-4-6-18(17)19-13)9-12-21-10-7-15(8-11-21)20-14(2)22/h3-7,19H,8-12H2,1-2H3,(H,20,22)
InChIKey
SDMPRJQVVRDYCN-UHFFFAOYSA-N
Compound name
N-[1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1841 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.191376 171.9
[M+Na]+ 320.173318 178.5
[M-H]- 296.176824 175.4
[M+NH4]+ 315.217923 186.4
[M+K]+ 336.147258 172.5
[M+H-H2O]+ 280.181360 163.0
[M+HCOO]- 342.182301 190.4
[M+CH3COO]- 356.197951 181.9
[M+Na-2H]- 318.158766 174.0
[M]+ 297.18355142 170.2
[M]- 297.18464858 170.2
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.