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]+ 328.201946 179.8
[M+Na]+ 350.183888 186.6
[M-H]- 326.187394 183.5
[M+NH4]+ 345.228493 193.3
[M+K]+ 366.157828 181.1
[M+H-H2O]+ 310.191930 170.8
[M+HCOO]- 372.192871 198.0
[M+CH3COO]- 386.208521 210.9
[M+Na-2H]- 348.169336 180.6
[M]+ 327.19412142 180.2
[M]- 327.19521858 180.2
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

patents stripe