CID 326713

Nsc298497

Structural Information

Molecular Formula
C22H24N2O3
SMILES
C1CCN(CC1)CN2C3=CC=CC=C3C(C2=O)(CC(=O)C4=CC=CC=C4)O
InChI
InChI=1S/C22H24N2O3/c25-20(17-9-3-1-4-10-17)15-22(27)18-11-5-6-12-19(18)24(21(22)26)16-23-13-7-2-8-14-23/h1,3-6,9-12,27H,2,7-8,13-16H2
InChIKey
VTAKAVRLLVZMIZ-UHFFFAOYSA-N
Compound name
3-hydroxy-3-phenacyl-1-(piperidin-1-ylmethyl)indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.17868 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.18596 188.9
[M+Na]+ 387.16790 193.6
[M-H]- 363.17140 194.5
[M+NH4]+ 382.21250 201.6
[M+K]+ 403.14184 187.7
[M+H-H2O]+ 347.17594 178.5
[M+HCOO]- 409.17688 202.3
[M+CH3COO]- 423.19253 196.9
[M+Na-2H]- 385.15335 188.5
[M]+ 364.17813 184.6
[M]- 364.17923 184.6
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.