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

1
Patents

221.12045 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12773 149.2
[M+Na]+ 244.10967 159.9
[M-H]- 220.11317 155.2
[M+NH4]+ 239.15427 169.0
[M+K]+ 260.08361 153.6
[M+H-H2O]+ 204.11771 142.2
[M+HCOO]- 266.11865 172.2
[M+CH3COO]- 280.13430 162.8
[M+Na-2H]- 242.09512 154.9
[M]+ 221.11990 149.9
[M]- 221.12100 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