CID 23137142

2-(6-(benzyloxy)-1h-indol-3-yl)acetic acid

Structural Information

Molecular Formula
C17H15NO3
SMILES
C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=CN3)CC(=O)O
InChI
InChI=1S/C17H15NO3/c19-17(20)8-13-10-18-16-9-14(6-7-15(13)16)21-11-12-4-2-1-3-5-12/h1-7,9-10,18H,8,11H2,(H,19,20)
InChIKey
PHNNDRRSUHPAFS-UHFFFAOYSA-N
Compound name
2-(6-phenylmethoxy-1H-indol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

281.1052 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11248 163.2
[M+Na]+ 304.09442 171.4
[M-H]- 280.09792 167.3
[M+NH4]+ 299.13902 178.9
[M+K]+ 320.06836 165.9
[M+H-H2O]+ 264.10246 155.5
[M+HCOO]- 326.10340 184.0
[M+CH3COO]- 340.11905 174.6
[M+Na-2H]- 302.07987 167.6
[M]+ 281.10465 164.8
[M]- 281.10575 164.8
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