CID 3824745

3-methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-1h-indole

Structural Information

Molecular Formula
C29H25NO2
SMILES
CC1=C(NC2=C1C=C(C=C2)OCC3=CC=CC=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C29H25NO2/c1-21-27-18-26(32-20-23-10-6-3-7-11-23)16-17-28(27)30-29(21)24-12-14-25(15-13-24)31-19-22-8-4-2-5-9-22/h2-18,30H,19-20H2,1H3
InChIKey
KRIJKJMYOVWRSJ-UHFFFAOYSA-N
Compound name
3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

181
Patents

419.18854 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.19582 204.9
[M+Na]+ 442.17776 212.3
[M-H]- 418.18126 215.9
[M+NH4]+ 437.22236 214.8
[M+K]+ 458.15170 203.7
[M+H-H2O]+ 402.18580 193.2
[M+HCOO]- 464.18674 225.5
[M+CH3COO]- 478.20239 213.9
[M+Na-2H]- 440.16321 206.8
[M]+ 419.18799 207.0
[M]- 419.18909 207.0
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