CID 21756

3-(2-pyridylmethyl)indole

Structural Information

Molecular Formula
C14H12N2
SMILES
C1=CC=C2C(=C1)C(=CN2)CC3=CC=CC=N3
InChI
InChI=1S/C14H12N2/c1-2-7-14-13(6-1)11(10-16-14)9-12-5-3-4-8-15-12/h1-8,10,16H,9H2
InChIKey
REMGZSGXONUDEF-UHFFFAOYSA-N
Compound name
3-(pyridin-2-ylmethyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

208.10005 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.10733 144.3
[M+Na]+ 231.08927 154.0
[M-H]- 207.09277 148.3
[M+NH4]+ 226.13387 162.5
[M+K]+ 247.06321 147.9
[M+H-H2O]+ 191.09731 136.1
[M+HCOO]- 253.09825 166.6
[M+CH3COO]- 267.11390 157.2
[M+Na-2H]- 229.07472 152.5
[M]+ 208.09950 143.9
[M]- 208.10060 143.9
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