CID 7015846

7042-71-9

Structural Information

Molecular Formula
C16H13NO2
SMILES
C1=CC=C(C=C1)COC2=CC=CC3=C2C(=CN3)C=O
InChI
InChI=1S/C16H13NO2/c18-10-13-9-17-14-7-4-8-15(16(13)14)19-11-12-5-2-1-3-6-12/h1-10,17H,11H2
InChIKey
WURDDLFAUSUSLT-UHFFFAOYSA-N
Compound name
4-phenylmethoxy-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

111
Patents

251.09464 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10192 156.2
[M+Na]+ 274.08386 171.8
[M+NH4]+ 269.12846 165.0
[M+K]+ 290.05780 165.0
[M-H]- 250.08736 160.3
[M+Na-2H]- 272.06931 165.3
[M]+ 251.09409 159.7
[M]- 251.09519 159.7
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