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

0
Patents

278.1419 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.14918 166.5
[M+Na]+ 301.13112 173.6
[M-H]- 277.13462 172.1
[M+NH4]+ 296.17572 185.0
[M+K]+ 317.10506 168.4
[M+H-H2O]+ 261.13916 158.0
[M+HCOO]- 323.14010 184.6
[M+CH3COO]- 337.15575 177.5
[M+Na-2H]- 299.11657 167.5
[M]+ 278.14135 165.0
[M]- 278.14245 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.