CID 3043116

55042-51-8

Structural Information

Molecular Formula
C15H14N2O2
SMILES
COC1=CC2=C(C=C1)NC=C2C(C3=CN=CC=C3)O
InChI
InChI=1S/C15H14N2O2/c1-19-11-4-5-14-12(7-11)13(9-17-14)15(18)10-3-2-6-16-8-10/h2-9,15,17-18H,1H3
InChIKey
GJHYWZUGUACJGJ-UHFFFAOYSA-N
Compound name
(5-methoxy-1H-indol-3-yl)-pyridin-3-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

254.10553 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11281 156.1
[M+Na]+ 277.09475 165.2
[M-H]- 253.09825 159.3
[M+NH4]+ 272.13935 171.8
[M+K]+ 293.06869 159.9
[M+H-H2O]+ 237.10279 148.1
[M+HCOO]- 299.10373 176.0
[M+CH3COO]- 313.11938 167.9
[M+Na-2H]- 275.08020 161.6
[M]+ 254.10498 156.9
[M]- 254.10608 156.9
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