CID 21129

Indoxole

Structural Information

Molecular Formula
C22H19NO2
SMILES
COC1=CC=C(C=C1)C2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)OC
InChI
InChI=1S/C22H19NO2/c1-24-17-11-7-15(8-12-17)21-19-5-3-4-6-20(19)23-22(21)16-9-13-18(25-2)14-10-16/h3-14,23H,1-2H3
InChIKey
SRETXDDCKMOQNE-UHFFFAOYSA-N
Compound name
2,3-bis(4-methoxyphenyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4064
Patents

329.14157 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.14885 178.6
[M+Na]+ 352.13079 188.3
[M-H]- 328.13429 187.6
[M+NH4]+ 347.17539 193.2
[M+K]+ 368.10473 181.4
[M+H-H2O]+ 312.13883 169.2
[M+HCOO]- 374.13977 200.9
[M+CH3COO]- 388.15542 190.2
[M+Na-2H]- 350.11624 182.4
[M]+ 329.14102 181.6
[M]- 329.14212 181.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe