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

7
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

literature stripe

Patent stripe

patents stripe