CID 29686

19616-02-5

Structural Information

Molecular Formula
C16H15N3O2
SMILES
C1=CC2=C(C=C1OC(=O)C3=CC=NC=C3)C(=CN2)CCN
InChI
InChI=1S/C16H15N3O2/c17-6-3-12-10-19-15-2-1-13(9-14(12)15)21-16(20)11-4-7-18-8-5-11/h1-2,4-5,7-10,19H,3,6,17H2
InChIKey
YBUNDHFQQIVXMN-UHFFFAOYSA-N
Compound name
[3-(2-aminoethyl)-1H-indol-5-yl] pyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.11642 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12370 164.3
[M+Na]+ 304.10564 177.6
[M+NH4]+ 299.15024 171.4
[M+K]+ 320.07958 172.6
[M-H]- 280.10914 167.3
[M+Na-2H]- 302.09109 171.8
[M]+ 281.11587 166.9
[M]- 281.11697 166.9
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

No patent data available for this compound.