CID 2816385

56533-62-1

Structural Information

Molecular Formula
C18H18N2O
SMILES
C1CN(C2=CC=CC=C21)CC(=O)N3CCC4=CC=CC=C43
InChI
InChI=1S/C18H18N2O/c21-18(20-12-10-15-6-2-4-8-17(15)20)13-19-11-9-14-5-1-3-7-16(14)19/h1-8H,9-13H2
InChIKey
KQDAQWJJUFDJMM-UHFFFAOYSA-N
Compound name
1,2-bis(2,3-dihydroindol-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

278.1419 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.149176 166.5
[M+Na]+ 301.131118 173.6
[M-H]- 277.134624 172.1
[M+NH4]+ 296.175723 185.0
[M+K]+ 317.105058 168.4
[M+H-H2O]+ 261.139160 158.0
[M+HCOO]- 323.140101 184.6
[M+CH3COO]- 337.155751 177.5
[M+Na-2H]- 299.116566 167.5
[M]+ 278.14135142 165.0
[M]- 278.14244858 165.0
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.