CID 57731074

Schembl424789

Structural Information

Molecular Formula
C24H21NO4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)C2=CC=CC(=C2)C3=CC4=CC=CC=C4N3
InChI
InChI=1S/C24H21NO4/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/h4-14,25H,1-3H3
InChIKey
DENFSYNPQDHOTF-UHFFFAOYSA-N
Compound name
[3-(1H-indol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

387.14706 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.15434 193.2
[M+Na]+ 410.13628 202.1
[M-H]- 386.13978 202.3
[M+NH4]+ 405.18088 205.2
[M+K]+ 426.11022 196.6
[M+H-H2O]+ 370.14432 183.4
[M+HCOO]- 432.14526 214.2
[M+CH3COO]- 446.16091 203.8
[M+Na-2H]- 408.12173 194.2
[M]+ 387.14651 198.7
[M]- 387.14761 198.7
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.