CID 24180722

3-(3-methoxybenzyl)-1h-pyrrolo[2,3-b]pyridine

Structural Information

Molecular Formula
C15H14N2O
SMILES
COC1=CC=CC(=C1)CC2=CNC3=C2C=CC=N3
InChI
InChI=1S/C15H14N2O/c1-18-13-5-2-4-11(9-13)8-12-10-17-15-14(12)6-3-7-16-15/h2-7,9-10H,8H2,1H3,(H,16,17)
InChIKey
GHQCCHWTDLTMJT-UHFFFAOYSA-N
Compound name
3-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

18
Patents

238.11061 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11789 152.6
[M+Na]+ 261.09983 162.6
[M-H]- 237.10333 156.9
[M+NH4]+ 256.14443 169.9
[M+K]+ 277.07377 156.9
[M+H-H2O]+ 221.10787 144.2
[M+HCOO]- 283.10881 174.8
[M+CH3COO]- 297.12446 165.3
[M+Na-2H]- 259.08528 159.5
[M]+ 238.11006 154.4
[M]- 238.11116 154.4
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