CID 2302250

1,3-bis(2,3-dihydro-1h-indol-1-yl)propane-1,3-dione

Structural Information

Molecular Formula
C19H18N2O2
SMILES
C1CN(C2=CC=CC=C21)C(=O)CC(=O)N3CCC4=CC=CC=C43
InChI
InChI=1S/C19H18N2O2/c22-18(20-11-9-14-5-1-3-7-16(14)20)13-19(23)21-12-10-15-6-2-4-8-17(15)21/h1-8H,9-13H2
InChIKey
PHEUSRFARQHWGC-UHFFFAOYSA-N
Compound name
1,3-bis(2,3-dihydroindol-1-yl)propane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

306.13684 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.144116 173.7
[M+Na]+ 329.126058 180.1
[M-H]- 305.129564 179.4
[M+NH4]+ 324.170663 190.9
[M+K]+ 345.099998 175.3
[M+H-H2O]+ 289.134100 165.3
[M+HCOO]- 351.135041 190.7
[M+CH3COO]- 365.150691 184.1
[M+Na-2H]- 327.111506 173.2
[M]+ 306.13629142 172.6
[M]- 306.13738858 172.6
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

patents stripe