CID 24475

7770-47-0

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

12
Patents

236.13135 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.138626 153.8
[M+Na]+ 259.120568 163.9
[M-H]- 235.124074 159.2
[M+NH4]+ 254.165173 171.9
[M+K]+ 275.094508 158.3
[M+H-H2O]+ 219.128610 145.0
[M+HCOO]- 281.129551 176.9
[M+CH3COO]- 295.145201 166.8
[M+Na-2H]- 257.106016 160.5
[M]+ 236.13080142 156.3
[M]- 236.13189858 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