CID 362988

Nsc627516

Structural Information

Molecular Formula
C17H17NO3
SMILES
COC1=CC=CC(=C1OC)C(=O)N2CCC3=CC=CC=C32
InChI
InChI=1S/C17H17NO3/c1-20-15-9-5-7-13(16(15)21-2)17(19)18-11-10-12-6-3-4-8-14(12)18/h3-9H,10-11H2,1-2H3
InChIKey
AWLWIOHTOUQMTJ-UHFFFAOYSA-N
Compound name
2,3-dihydroindol-1-yl-(2,3-dimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.12085 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12813 165.0
[M+Na]+ 306.11007 173.1
[M-H]- 282.11357 171.6
[M+NH4]+ 301.15467 182.4
[M+K]+ 322.08401 169.7
[M+H-H2O]+ 266.11811 157.1
[M+HCOO]- 328.11905 186.0
[M+CH3COO]- 342.13470 200.4
[M+Na-2H]- 304.09552 167.6
[M]+ 283.12030 167.8
[M]- 283.12140 167.8
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.