CID 53498

Brn 5122546

Structural Information

Molecular Formula
C24H21NO3
SMILES
COC1=CC=C(C=C1)C2=CC3=C(N2C4=CC=CC=C4)C=CC=C3OCC5CO5
InChI
InChI=1S/C24H21NO3/c1-26-19-12-10-17(11-13-19)23-14-21-22(25(23)18-6-3-2-4-7-18)8-5-9-24(21)28-16-20-15-27-20/h2-14,20H,15-16H2,1H3
InChIKey
FHEZSHPOZITLCM-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-4-(oxiran-2-ylmethoxy)-1-phenylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.15213 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.15941 186.3
[M+Na]+ 394.14135 197.2
[M-H]- 370.14485 199.9
[M+NH4]+ 389.18595 193.8
[M+K]+ 410.11529 192.3
[M+H-H2O]+ 354.14939 176.7
[M+HCOO]- 416.15033 208.9
[M+CH3COO]- 430.16598 197.6
[M+Na-2H]- 392.12680 190.1
[M]+ 371.15158 194.2
[M]- 371.15268 194.2
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.