CID 53496

76410-26-9

Structural Information

Molecular Formula
C18H21NO2
SMILES
CC(C)N1C2=C(C=C1C3=CC=C(C=C3)OC)C(=O)CCC2
InChI
InChI=1S/C18H21NO2/c1-12(2)19-16-5-4-6-18(20)15(16)11-17(19)13-7-9-14(21-3)10-8-13/h7-12H,4-6H2,1-3H3
InChIKey
JKMVSAGBAFCFLQ-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-1-propan-2-yl-6,7-dihydro-5H-indol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.15723 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16451 167.4
[M+Na]+ 306.14645 180.7
[M+NH4]+ 301.19105 176.0
[M+K]+ 322.12039 175.0
[M-H]- 282.14995 171.2
[M+Na-2H]- 304.13190 173.1
[M]+ 283.15668 170.4
[M]- 283.15778 170.4
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.