CID 5279814

Schembl12751524

Structural Information

Molecular Formula
C28H24N2O2
SMILES
C1CN(CCC1=C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C(=O)C4=CNC5=CC=CC=C54
InChI
InChI=1S/C28H24N2O2/c31-27(24-19-29-25-14-8-7-13-23(24)25)28(32)30-17-15-22(16-18-30)26(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,19,29H,15-18H2
InChIKey
KPQRBHDTOXJIFY-UHFFFAOYSA-N
Compound name
1-(4-benzhydrylidenepiperidin-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

420.18378 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.19106 202.4
[M+Na]+ 443.17300 205.2
[M-H]- 419.17650 210.6
[M+NH4]+ 438.21760 209.6
[M+K]+ 459.14694 197.0
[M+H-H2O]+ 403.18104 190.4
[M+HCOO]- 465.18198 215.5
[M+CH3COO]- 479.19763 208.8
[M+Na-2H]- 441.15845 200.4
[M]+ 420.18323 195.9
[M]- 420.18433 195.9
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