CID 25418654

24370-75-0

Structural Information

Molecular Formula
C16H13NO3
SMILES
C1=CC=C(C=C1)COC2=CC=CC3=C2NC=C3C(=O)O
InChI
InChI=1S/C16H13NO3/c18-16(19)13-9-17-15-12(13)7-4-8-14(15)20-10-11-5-2-1-3-6-11/h1-9,17H,10H2,(H,18,19)
InChIKey
UTKFPHSPQYCKBX-UHFFFAOYSA-N
Compound name
7-phenylmethoxy-1H-indole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

267.08954 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09682 159.8
[M+Na]+ 290.07876 173.9
[M+NH4]+ 285.12336 167.5
[M+K]+ 306.05270 168.8
[M-H]- 266.08226 162.6
[M+Na-2H]- 288.06421 167.4
[M]+ 267.08899 162.5
[M]- 267.09009 162.5
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

patents stripe