CID 38645

40714-59-8

Structural Information

Molecular Formula
C25H33N3O
SMILES
CCN(CC)CCC1(C2=CC=CC=C2N(C1=O)N3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C25H33N3O/c1-3-26(4-2)20-17-25(21-13-7-5-8-14-21)22-15-9-10-16-23(22)28(24(25)29)27-18-11-6-12-19-27/h5,7-10,13-16H,3-4,6,11-12,17-20H2,1-2H3
InChIKey
DBAAUQOYQNYJLY-UHFFFAOYSA-N
Compound name
3-[2-(diethylamino)ethyl]-3-phenyl-1-piperidin-1-ylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.26236 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.26964 199.2
[M+Na]+ 414.25158 202.5
[M-H]- 390.25508 206.7
[M+NH4]+ 409.29618 212.1
[M+K]+ 430.22552 196.8
[M+H-H2O]+ 374.25962 187.3
[M+HCOO]- 436.26056 215.1
[M+CH3COO]- 450.27621 206.9
[M+Na-2H]- 412.23703 198.4
[M]+ 391.26181 196.6
[M]- 391.26291 196.6
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.