CID 44669320

53704-23-7

Structural Information

Molecular Formula
C22H21NO
SMILES
CC\1(C2=CC=CC=C2N(/C1=C/C=C/3\CC4=CC=CC=C4C3=O)C)C
InChI
InChI=1S/C22H21NO/c1-22(2)18-10-6-7-11-19(18)23(3)20(22)13-12-16-14-15-8-4-5-9-17(15)21(16)24/h4-13H,14H2,1-3H3/b16-12+,20-13+
InChIKey
RMZNRQVMHQVFHH-GEEUODSKSA-N
Compound name
(2E)-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.16232 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.16960 178.4
[M+Na]+ 338.15154 188.7
[M-H]- 314.15504 186.3
[M+NH4]+ 333.19614 199.8
[M+K]+ 354.12548 180.8
[M+H-H2O]+ 298.15958 171.3
[M+HCOO]- 360.16052 197.8
[M+CH3COO]- 374.17617 190.2
[M+Na-2H]- 336.13699 177.7
[M]+ 315.16177 178.3
[M]- 315.16287 178.3
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.