CID 4029677

131084-35-0

Structural Information

Molecular Formula
C15H19N3O
SMILES
CCCOC1=NC2=C(C=C1)NC=C2C3=CCNCC3
InChI
InChI=1S/C15H19N3O/c1-2-9-19-14-4-3-13-15(18-14)12(10-17-13)11-5-7-16-8-6-11/h3-5,10,16-17H,2,6-9H2,1H3
InChIKey
KWQWBZIGHIOKIO-UHFFFAOYSA-N
Compound name
5-propoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[3,2-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

77
References

29
Patents

257.1528 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.16008 160.9
[M+Na]+ 280.14202 174.1
[M+NH4]+ 275.18662 168.5
[M+K]+ 296.11596 168.4
[M-H]- 256.14552 163.0
[M+Na-2H]- 278.12747 167.3
[M]+ 257.15225 163.2
[M]- 257.15335 163.2
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