CID 54719

81252-99-5

Structural Information

Molecular Formula
C27H28N2O2
SMILES
COC1=CC2=C(C=C1)N(C(=O)C2(C3=CC=CC=C3)C4=CC=CC=C4)CN5CCCCC5
InChI
InChI=1S/C27H28N2O2/c1-31-23-15-16-25-24(19-23)27(21-11-5-2-6-12-21,22-13-7-3-8-14-22)26(30)29(25)20-28-17-9-4-10-18-28/h2-3,5-8,11-16,19H,4,9-10,17-18,20H2,1H3
InChIKey
ACZOWMLCQSEUDN-UHFFFAOYSA-N
Compound name
5-methoxy-3,3-diphenyl-1-(piperidin-1-ylmethyl)indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.2151 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.22238 204.2
[M+Na]+ 435.20432 209.3
[M-H]- 411.20782 213.9
[M+NH4]+ 430.24892 215.2
[M+K]+ 451.17826 202.0
[M+H-H2O]+ 395.21236 191.0
[M+HCOO]- 457.21330 218.9
[M+CH3COO]- 471.22895 211.8
[M+Na-2H]- 433.18977 203.3
[M]+ 412.21455 200.5
[M]- 412.21565 200.5
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.