CID 40930

Brn 0444466

Structural Information

Molecular Formula
C23H19NO3
SMILES
COC1=CC=CC=C1C(C2=CC=CC=C2)C3=CNC4=C3C=C(C=C4)C(=O)O
InChI
InChI=1S/C23H19NO3/c1-27-21-10-6-5-9-17(21)22(15-7-3-2-4-8-15)19-14-24-20-12-11-16(23(25)26)13-18(19)20/h2-14,22,24H,1H3,(H,25,26)
InChIKey
PACZNPVFFGBOPX-UHFFFAOYSA-N
Compound name
3-[(2-methoxyphenyl)-phenylmethyl]-1H-indole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.1365 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.14378 184.8
[M+Na]+ 380.12572 191.9
[M-H]- 356.12922 192.0
[M+NH4]+ 375.17032 196.8
[M+K]+ 396.09966 185.4
[M+H-H2O]+ 340.13376 175.6
[M+HCOO]- 402.13470 203.6
[M+CH3COO]- 416.15035 194.6
[M+Na-2H]- 378.11117 186.3
[M]+ 357.13595 185.5
[M]- 357.13705 185.5
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.