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 179.8
[M+Na]+ 350.18389 186.6
[M-H]- 326.18739 183.5
[M+NH4]+ 345.22849 193.3
[M+K]+ 366.15783 181.1
[M+H-H2O]+ 310.19193 170.8
[M+HCOO]- 372.19287 198.0
[M+CH3COO]- 386.20852 210.9
[M+Na-2H]- 348.16934 180.6
[M]+ 327.19412 180.2
[M]- 327.19522 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