CID 40940

Brn 0450162

Structural Information

Molecular Formula
C24H21NO3
SMILES
COC1=CC=CC=C1C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4N3)CC(=O)O
InChI
InChI=1S/C24H21NO3/c1-28-21-14-8-6-12-18(21)23(16-9-3-2-4-10-16)24-19(15-22(26)27)17-11-5-7-13-20(17)25-24/h2-14,23,25H,15H2,1H3,(H,26,27)
InChIKey
ODSKDAGJEVMXFD-UHFFFAOYSA-N
Compound name
2-[2-[(2-methoxyphenyl)-phenylmethyl]-1H-indol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.15213 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.15941 190.5
[M+Na]+ 394.14135 205.8
[M+NH4]+ 389.18595 197.9
[M+K]+ 410.11529 199.4
[M-H]- 370.14485 195.9
[M+Na-2H]- 392.12680 199.5
[M]+ 371.15158 194.3
[M]- 371.15268 194.3
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.