CID 325380

60463-77-6

Structural Information

Molecular Formula
C17H15NO3
SMILES
CN1C2=CC=CC=C2C(C1=O)(CC(=O)C3=CC=CC=C3)O
InChI
InChI=1S/C17H15NO3/c1-18-14-10-6-5-9-13(14)17(21,16(18)20)11-15(19)12-7-3-2-4-8-12/h2-10,21H,11H2,1H3
InChIKey
XVAZUZCWRIBPLR-UHFFFAOYSA-N
Compound name
3-hydroxy-1-methyl-3-phenacylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

281.1052 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11248 164.0
[M+Na]+ 304.09442 173.0
[M-H]- 280.09792 169.6
[M+NH4]+ 299.13902 182.6
[M+K]+ 320.06836 168.3
[M+H-H2O]+ 264.10246 156.9
[M+HCOO]- 326.10340 183.7
[M+CH3COO]- 340.11905 197.4
[M+Na-2H]- 302.07987 167.3
[M]+ 281.10465 164.7
[M]- 281.10575 164.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe