CID 13469331

95968-77-7

Structural Information

Molecular Formula
C19H23N3O
SMILES
C1CCN(C1)CCNC2C3=C(COC4=CC=CC=C24)N=CC=C3
InChI
InChI=1S/C19H23N3O/c1-2-8-18-16(6-1)19(21-10-13-22-11-3-4-12-22)15-7-5-9-20-17(15)14-23-18/h1-2,5-9,19,21H,3-4,10-14H2
InChIKey
FNJSWRBBMNEIRB-UHFFFAOYSA-N
Compound name
N-(2-pyrrolidin-1-ylethyl)-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

309.1841 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.19138 177.9
[M+Na]+ 332.17332 188.6
[M+NH4]+ 327.21792 185.8
[M+K]+ 348.14726 183.4
[M-H]- 308.17682 183.2
[M+Na-2H]- 330.15877 183.0
[M]+ 309.18355 181.0
[M]- 309.18465 181.0
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