CID 25210792

Asp-9521

Structural Information

Molecular Formula
C19H26N2O3
SMILES
CC(C)(CC1CCN(CC1)C(=O)C2=CC3=C(N2)C=CC(=C3)OC)O
InChI
InChI=1S/C19H26N2O3/c1-19(2,23)12-13-6-8-21(9-7-13)18(22)17-11-14-10-15(24-3)4-5-16(14)20-17/h4-5,10-11,13,20,23H,6-9,12H2,1-3H3
InChIKey
OXSCPDKUZWPWFR-UHFFFAOYSA-N
Compound name
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

25
Patents

330.19434 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.201616 181.3
[M+Na]+ 353.183558 186.8
[M-H]- 329.187064 183.2
[M+NH4]+ 348.228163 193.9
[M+K]+ 369.157498 182.0
[M+H-H2O]+ 313.191600 173.4
[M+HCOO]- 375.192541 194.0
[M+CH3COO]- 389.208191 205.2
[M+Na-2H]- 351.169006 181.9
[M]+ 330.19379142 179.7
[M]- 330.19488858 179.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe