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 178.0
[M+Na]+ 338.15154 191.8
[M+NH4]+ 333.19614 188.5
[M+K]+ 354.12548 184.0
[M-H]- 314.15504 182.2
[M+Na-2H]- 336.13699 183.9
[M]+ 315.16177 181.3
[M]- 315.16287 181.3
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.