CID 12465519

5-(2-(diethylamino)ethyl)-8,9-dihydro-5h-pyrido(3,2-b)azepin-6(7h)-one fumarate

Structural Information

Molecular Formula
C15H23N3O
SMILES
CCN(CC)CCN1C(=O)CCCC2=C1C=CC=N2
InChI
InChI=1S/C15H23N3O/c1-3-17(4-2)11-12-18-14-8-6-10-16-13(14)7-5-9-15(18)19/h6,8,10H,3-5,7,9,11-12H2,1-2H3
InChIKey
OIMMAMJPVYALPX-UHFFFAOYSA-N
Compound name
5-[2-(diethylamino)ethyl]-8,9-dihydro-7H-pyrido[3,2-b]azepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1841 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.19138 159.3
[M+Na]+ 284.17332 163.8
[M-H]- 260.17682 162.8
[M+NH4]+ 279.21792 173.9
[M+K]+ 300.14726 165.5
[M+H-H2O]+ 244.18136 150.6
[M+HCOO]- 306.18230 177.7
[M+CH3COO]- 320.19795 205.0
[M+Na-2H]- 282.15877 163.7
[M]+ 261.18355 157.2
[M]- 261.18465 157.2
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.