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]+ 298.19138 171.9
[M+Na]+ 320.17332 178.5
[M-H]- 296.17682 175.4
[M+NH4]+ 315.21792 186.4
[M+K]+ 336.14726 172.5
[M+H-H2O]+ 280.18136 163.0
[M+HCOO]- 342.18230 190.4
[M+CH3COO]- 356.19795 181.9
[M+Na-2H]- 318.15877 174.0
[M]+ 297.18355 170.2
[M]- 297.18465 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.