CID 11780957

1464-12-6

Structural Information

Molecular Formula
C17H15NO3
SMILES
C1=CC=C(C=C1)COC2=CC=CC3=C2C(=CN3)CC(=O)O
InChI
InChI=1S/C17H15NO3/c19-16(20)9-13-10-18-14-7-4-8-15(17(13)14)21-11-12-5-2-1-3-6-12/h1-8,10,18H,9,11H2,(H,19,20)
InChIKey
HPDBLFABLJQYMJ-UHFFFAOYSA-N
Compound name
2-(4-phenylmethoxy-1H-indol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

281.1052 Da
Monoisotopic Mass

3.0
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

literature stripe

Patent stripe

patents stripe