CID 3018966

Schembl10885541

Structural Information

Molecular Formula
C23H23NO2
SMILES
CC1(C2=CC=CC=C2N(C1=CC=C3CC4=C(C3=O)C=CC(=C4)OC)C)C
InChI
InChI=1S/C23H23NO2/c1-23(2)19-7-5-6-8-20(19)24(3)21(23)12-9-15-13-16-14-17(26-4)10-11-18(16)22(15)25/h5-12,14H,13H2,1-4H3
InChIKey
ZPOYEVJBRHNQGP-UHFFFAOYSA-N
Compound name
5-methoxy-2-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

345.17288 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.18016 185.5
[M+Na]+ 368.16210 196.0
[M-H]- 344.16560 193.6
[M+NH4]+ 363.20670 205.9
[M+K]+ 384.13604 188.7
[M+H-H2O]+ 328.17014 178.6
[M+HCOO]- 390.17108 204.7
[M+CH3COO]- 404.18673 197.1
[M+Na-2H]- 366.14755 183.9
[M]+ 345.17233 187.6
[M]- 345.17343 187.6
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