CID 58966

5-methoxy-2-skatylpyridine

Structural Information

Molecular Formula
C15H14N2O
SMILES
COC1=CC2=C(C=C1)NC=C2CC3=CC=CC=N3
InChI
InChI=1S/C15H14N2O/c1-18-13-5-6-15-14(9-13)11(10-17-15)8-12-4-2-3-7-16-12/h2-7,9-10,17H,8H2,1H3
InChIKey
MFIYQRHNRKLDTM-UHFFFAOYSA-N
Compound name
5-methoxy-3-(pyridin-2-ylmethyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

238.11061 Da
Monoisotopic Mass

2.9
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

No literature data available for this compound.

Patent stripe

patents stripe