CID 56646189

Schembl424575

Structural Information

Molecular Formula
C24H23NO4
SMILES
COC1=CC(=CC(=C1OC)OC)C(C2=CC=CC(=C2)C3=CC4=CC=CC=C4N3)O
InChI
InChI=1S/C24H23NO4/c1-27-21-13-18(14-22(28-2)24(21)29-3)23(26)17-9-6-8-15(11-17)20-12-16-7-4-5-10-19(16)25-20/h4-14,23,25-26H,1-3H3
InChIKey
CZRCZPDGOKBZFR-UHFFFAOYSA-N
Compound name
[3-(1H-indol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

389.16272 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.17000 193.7
[M+Na]+ 412.15194 201.9
[M-H]- 388.15544 201.5
[M+NH4]+ 407.19654 205.1
[M+K]+ 428.12588 196.3
[M+H-H2O]+ 372.15998 184.3
[M+HCOO]- 434.16092 213.1
[M+CH3COO]- 448.17657 203.7
[M+Na-2H]- 410.13739 194.5
[M]+ 389.16217 198.2
[M]- 389.16327 198.2
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.