CID 2761123

1-acetyl-n-[1-(2-phenylethyl)piperidin-4-yl]-indolin-5-amine

Structural Information

Molecular Formula
C23H29N3O
SMILES
CC(=O)N1CCC2=C1C=CC(=C2)NC3CCN(CC3)CCC4=CC=CC=C4
InChI
InChI=1S/C23H29N3O/c1-18(27)26-16-10-20-17-22(7-8-23(20)26)24-21-11-14-25(15-12-21)13-9-19-5-3-2-4-6-19/h2-8,17,21,24H,9-16H2,1H3
InChIKey
JVFSVNCIJRXULX-UHFFFAOYSA-N
Compound name
1-[5-[[1-(2-phenylethyl)piperidin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.23105 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.238326 190.3
[M+Na]+ 386.220268 193.1
[M-H]- 362.223774 196.6
[M+NH4]+ 381.264873 201.7
[M+K]+ 402.194208 186.8
[M+H-H2O]+ 346.228310 179.1
[M+HCOO]- 408.229251 205.4
[M+CH3COO]- 422.244901 197.9
[M+Na-2H]- 384.205716 189.3
[M]+ 363.23050142 185.0
[M]- 363.23159858 185.0
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.