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]+ 364.23833 190.3
[M+Na]+ 386.22027 193.1
[M-H]- 362.22377 196.6
[M+NH4]+ 381.26487 201.7
[M+K]+ 402.19421 186.8
[M+H-H2O]+ 346.22831 179.1
[M+HCOO]- 408.22925 205.4
[M+CH3COO]- 422.24490 197.9
[M+Na-2H]- 384.20572 189.3
[M]+ 363.23050 185.0
[M]- 363.23160 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.