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]+ 307.14412 173.7
[M+Na]+ 329.12606 180.1
[M-H]- 305.12956 179.4
[M+NH4]+ 324.17066 190.9
[M+K]+ 345.10000 175.3
[M+H-H2O]+ 289.13410 165.3
[M+HCOO]- 351.13504 190.7
[M+CH3COO]- 365.15069 184.1
[M+Na-2H]- 327.11151 173.2
[M]+ 306.13629 172.6
[M]- 306.13739 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