CID 12460351

90358-82-0

Structural Information

Molecular Formula
C15H23N3O2
SMILES
CN(C)CCCOC(=O)N1CCCCC2=C1C=CC=N2
InChI
InChI=1S/C15H23N3O2/c1-17(2)10-6-12-20-15(19)18-11-4-3-7-13-14(18)8-5-9-16-13/h5,8-9H,3-4,6-7,10-12H2,1-2H3
InChIKey
QVCYSQIPQSKRNV-UHFFFAOYSA-N
Compound name
3-(dimethylamino)propyl 6,7,8,9-tetrahydropyrido[3,2-b]azepine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.17902 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.18630 162.8
[M+Na]+ 300.16824 171.2
[M+NH4]+ 295.21284 168.9
[M+K]+ 316.14218 167.0
[M-H]- 276.17174 163.8
[M+Na-2H]- 298.15369 167.0
[M]+ 277.17847 164.0
[M]- 277.17957 164.0
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.