CID 83247

5-methyl-2-phenyl-1h-indole

Structural Information

Molecular Formula
C15H13N
SMILES
CC1=CC2=C(C=C1)NC(=C2)C3=CC=CC=C3
InChI
InChI=1S/C15H13N/c1-11-7-8-14-13(9-11)10-15(16-14)12-5-3-2-4-6-12/h2-10,16H,1H3
InChIKey
JPFTUUXPCFNLIX-UHFFFAOYSA-N
Compound name
5-methyl-2-phenyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

139
Patents

207.1048 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.11208 144.4
[M+Na]+ 230.09402 154.7
[M-H]- 206.09752 150.3
[M+NH4]+ 225.13862 164.5
[M+K]+ 246.06796 148.6
[M+H-H2O]+ 190.10206 137.4
[M+HCOO]- 252.10300 167.9
[M+CH3COO]- 266.11865 158.2
[M+Na-2H]- 228.07947 151.5
[M]+ 207.10425 144.4
[M]- 207.10535 144.4
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