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

12
Patents

281.1052 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.112476 163.2
[M+Na]+ 304.094418 171.4
[M-H]- 280.097924 167.3
[M+NH4]+ 299.139023 178.9
[M+K]+ 320.068358 165.9
[M+H-H2O]+ 264.102460 155.5
[M+HCOO]- 326.103401 184.0
[M+CH3COO]- 340.119051 174.6
[M+Na-2H]- 302.079866 167.6
[M]+ 281.10465142 164.8
[M]- 281.10574858 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