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 162.1
[M+Na]+ 300.16824 165.5
[M-H]- 276.17174 165.5
[M+NH4]+ 295.21284 175.9
[M+K]+ 316.14218 168.4
[M+H-H2O]+ 260.17628 153.3
[M+HCOO]- 322.17722 179.8
[M+CH3COO]- 336.19287 205.4
[M+Na-2H]- 298.15369 166.2
[M]+ 277.17847 160.4
[M]- 277.17957 160.4
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

No patent data available for this compound.