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

2
Patents

315.16232 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.169596 178.4
[M+Na]+ 338.151538 188.7
[M-H]- 314.155044 186.3
[M+NH4]+ 333.196143 199.8
[M+K]+ 354.125478 180.8
[M+H-H2O]+ 298.159580 171.3
[M+HCOO]- 360.160521 197.8
[M+CH3COO]- 374.176171 190.2
[M+Na-2H]- 336.136986 177.7
[M]+ 315.16177142 178.3
[M]- 315.16286858 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.