CID 53495

76410-25-8

Structural Information

Molecular Formula
C21H19NO2
SMILES
COC1=CC=C(C=C1)C2=CC3=C(N2C4=CC=CC=C4)CCCC3=O
InChI
InChI=1S/C21H19NO2/c1-24-17-12-10-15(11-13-17)20-14-18-19(8-5-9-21(18)23)22(20)16-6-3-2-4-7-16/h2-4,6-7,10-14H,5,8-9H2,1H3
InChIKey
WSRLDSHOMVODFC-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-1-phenyl-6,7-dihydro-5H-indol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.14157 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.148846 175.6
[M+Na]+ 340.130788 183.4
[M-H]- 316.134294 184.9
[M+NH4]+ 335.175393 191.1
[M+K]+ 356.104728 177.5
[M+H-H2O]+ 300.138830 166.1
[M+HCOO]- 362.139771 195.7
[M+CH3COO]- 376.155421 186.8
[M+Na-2H]- 338.116236 177.3
[M]+ 317.14102142 175.1
[M]- 317.14211858 175.1
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.