CID 14027792

5-((n,n-diethylamino)acetyl)amino-5,11-dihydro-(1)benzoxepino(3,4-b)pyridine fumarate hydrate

Structural Information

Molecular Formula
C19H23N3O2
SMILES
CCN(CC)CC(=O)NC1C2=C(COC3=CC=CC=C13)N=CC=C2
InChI
InChI=1S/C19H23N3O2/c1-3-22(4-2)12-18(23)21-19-14-9-7-11-20-16(14)13-24-17-10-6-5-8-15(17)19/h5-11,19H,3-4,12-13H2,1-2H3,(H,21,23)
InChIKey
XGLIPGPUWYNJSG-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

325.17902 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.18630 178.9
[M+Na]+ 348.16824 188.9
[M+NH4]+ 343.21284 185.8
[M+K]+ 364.14218 183.3
[M-H]- 324.17174 183.3
[M+Na-2H]- 346.15369 183.4
[M]+ 325.17847 181.5
[M]- 325.17957 181.5
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