CID 213586

Brn 0441654

Structural Information

Molecular Formula
C19H25N3O2
SMILES
CC1=C(C2=C(N1)C=CC(=C2)OC)CCN3CCC(=CC3)NC(=O)C
InChI
InChI=1S/C19H25N3O2/c1-13-17(18-12-16(24-3)4-5-19(18)20-13)8-11-22-9-6-15(7-10-22)21-14(2)23/h4-6,12,20H,7-11H2,1-3H3,(H,21,23)
InChIKey
DJYUAUDZNXWBNK-UHFFFAOYSA-N
Compound name
N-[1-[2-(5-methoxy-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

3
Patents

327.19467 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.20195 180.1
[M+Na]+ 350.18389 191.9
[M+NH4]+ 345.22849 186.7
[M+K]+ 366.15783 186.8
[M-H]- 326.18739 182.9
[M+Na-2H]- 348.16934 184.9
[M]+ 327.19412 182.4
[M]- 327.19522 182.4
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

patents stripe