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

literature stripe

Patent stripe

patents stripe