CID 56664932

Chembl1813823

Structural Information

Molecular Formula
C20H17NO2
SMILES
COC1=CC=C(C=C1)CN2C=CC3=C(C=CC=C32)C4=CC=CO4
InChI
InChI=1S/C20H17NO2/c1-22-16-9-7-15(8-10-16)14-21-12-11-17-18(4-2-5-19(17)21)20-6-3-13-23-20/h2-13H,14H2,1H3
InChIKey
IMQBIAUWWSREHE-UHFFFAOYSA-N
Compound name
4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.12592 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.13320 169.6
[M+Na]+ 326.11514 179.9
[M-H]- 302.11864 180.9
[M+NH4]+ 321.15974 186.5
[M+K]+ 342.08908 175.7
[M+H-H2O]+ 286.12318 161.7
[M+HCOO]- 348.12412 194.2
[M+CH3COO]- 362.13977 183.0
[M+Na-2H]- 324.10059 173.2
[M]+ 303.12537 175.0
[M]- 303.12647 175.0
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

No patent data available for this compound.