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]+ 318.14885 175.6
[M+Na]+ 340.13079 183.4
[M-H]- 316.13429 184.9
[M+NH4]+ 335.17539 191.1
[M+K]+ 356.10473 177.5
[M+H-H2O]+ 300.13883 166.1
[M+HCOO]- 362.13977 195.7
[M+CH3COO]- 376.15542 186.8
[M+Na-2H]- 338.11624 177.3
[M]+ 317.14102 175.1
[M]- 317.14212 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.