CID 24475

4-(n-methyl-3-indolylethyl)pyridinium hydrochloride

Structural Information

Molecular Formula
C16H16N2
SMILES
CN1C=C(C2=CC=CC=C21)CCC3=CC=NC=C3
InChI
InChI=1S/C16H16N2/c1-18-12-14(15-4-2-3-5-16(15)18)7-6-13-8-10-17-11-9-13/h2-5,8-12H,6-7H2,1H3
InChIKey
KBVLDCQJRKDAMF-UHFFFAOYSA-N
Compound name
1-methyl-3-(2-pyridin-4-ylethyl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

236.13135 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.13863 153.8
[M+Na]+ 259.12057 163.9
[M-H]- 235.12407 159.2
[M+NH4]+ 254.16517 171.9
[M+K]+ 275.09451 158.3
[M+H-H2O]+ 219.12861 145.0
[M+HCOO]- 281.12955 176.9
[M+CH3COO]- 295.14520 166.8
[M+Na-2H]- 257.10602 160.5
[M]+ 236.13080 156.3
[M]- 236.13190 156.3
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