CID 7015846

4-(benzyloxy)-1h-indole-3-carbaldehyde

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

115
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 155.0
[M+Na]+ 274.08386 164.7
[M-H]- 250.08736 160.7
[M+NH4]+ 269.12846 172.9
[M+K]+ 290.05780 159.1
[M+H-H2O]+ 234.09190 147.3
[M+HCOO]- 296.09284 178.6
[M+CH3COO]- 310.10849 167.9
[M+Na-2H]- 272.06931 161.5
[M]+ 251.09409 157.3
[M]- 251.09519 157.3
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