CID 231244

2-(4-methoxyphenyl)-1h-indole

Structural Information

Molecular Formula
C15H13NO
SMILES
COC1=CC=C(C=C1)C2=CC3=CC=CC=C3N2
InChI
InChI=1S/C15H13NO/c1-17-13-8-6-11(7-9-13)15-10-12-4-2-3-5-14(12)16-15/h2-10,16H,1H3
InChIKey
BHCBPEBRFMLOND-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

110
Patents

223.09972 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.106996 148.0
[M+Na]+ 246.088938 158.1
[M-H]- 222.092444 153.8
[M+NH4]+ 241.133543 167.3
[M+K]+ 262.062878 152.6
[M+H-H2O]+ 206.096980 140.7
[M+HCOO]- 268.097921 171.5
[M+CH3COO]- 282.113571 161.5
[M+Na-2H]- 244.074386 155.0
[M]+ 223.09917142 149.3
[M]- 223.10026858 149.3
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