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]+ 284.128126 165.0
[M+Na]+ 306.110068 173.1
[M-H]- 282.113574 171.6
[M+NH4]+ 301.154673 182.4
[M+K]+ 322.084008 169.7
[M+H-H2O]+ 266.118110 157.1
[M+HCOO]- 328.119051 186.0
[M+CH3COO]- 342.134701 200.4
[M+Na-2H]- 304.095516 167.6
[M]+ 283.12030142 167.8
[M]- 283.12139858 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.