CID 84728

14960-63-5

Structural Information

Molecular Formula
C16H13NO2
SMILES
CON1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C=O
InChI
InChI=1S/C16H13NO2/c1-19-17-15-10-6-5-9-13(15)14(11-18)16(17)12-7-3-2-4-8-12/h2-11H,1H3
InChIKey
BPVFSHVFYDLETP-UHFFFAOYSA-N
Compound name
1-methoxy-2-phenylindole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

251.09464 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10192 154.9
[M+Na]+ 274.08386 166.0
[M-H]- 250.08736 162.3
[M+NH4]+ 269.12846 173.8
[M+K]+ 290.05780 161.2
[M+H-H2O]+ 234.09190 147.1
[M+HCOO]- 296.09284 179.9
[M+CH3COO]- 310.10849 168.8
[M+Na-2H]- 272.06931 161.0
[M]+ 251.09409 159.4
[M]- 251.09519 159.4
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