CID 20920

5,6-bis(phenylmethoxy)-1h-indole

Structural Information

Molecular Formula
C22H19NO2
SMILES
C1=CC=C(C=C1)COC2=C(C=C3C(=C2)C=CN3)OCC4=CC=CC=C4
InChI
InChI=1S/C22H19NO2/c1-3-7-17(8-4-1)15-24-21-13-19-11-12-23-20(19)14-22(21)25-16-18-9-5-2-6-10-18/h1-14,23H,15-16H2
InChIKey
JEUGWNYIRZKHDS-UHFFFAOYSA-N
Compound name
5,6-bis(phenylmethoxy)-1H-indole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

118
Patents

329.14157 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.14885 177.5
[M+Na]+ 352.13079 185.4
[M-H]- 328.13429 185.6
[M+NH4]+ 347.17539 191.5
[M+K]+ 368.10473 178.4
[M+H-H2O]+ 312.13883 167.8
[M+HCOO]- 374.13977 199.9
[M+CH3COO]- 388.15542 188.5
[M+Na-2H]- 350.11624 182.8
[M]+ 329.14102 179.6
[M]- 329.14212 179.6
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