CID 613542

2-(2,4-dimethylphenyl)-1h-indole

Structural Information

Molecular Formula
C16H15N
SMILES
CC1=CC(=C(C=C1)C2=CC3=CC=CC=C3N2)C
InChI
InChI=1S/C16H15N/c1-11-7-8-14(12(2)9-11)16-10-13-5-3-4-6-15(13)17-16/h3-10,17H,1-2H3
InChIKey
HWADCEDGVMYCLH-UHFFFAOYSA-N
Compound name
2-(2,4-dimethylphenyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

221.12045 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.127726 149.2
[M+Na]+ 244.109668 159.9
[M-H]- 220.113174 155.2
[M+NH4]+ 239.154273 169.0
[M+K]+ 260.083608 153.6
[M+H-H2O]+ 204.117710 142.2
[M+HCOO]- 266.118651 172.2
[M+CH3COO]- 280.134301 162.8
[M+Na-2H]- 242.095116 154.9
[M]+ 221.11990142 149.9
[M]- 221.12099858 149.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe