CID 13469333

95968-80-2

Structural Information

Molecular Formula
C19H23N3O2
SMILES
C1COCCN1CCNC2C3=C(COC4=CC=CC=C24)N=CC=C3
InChI
InChI=1S/C19H23N3O2/c1-2-6-18-16(4-1)19(15-5-3-7-20-17(15)14-24-18)21-8-9-22-10-12-23-13-11-22/h1-7,19,21H,8-14H2
InChIKey
LTFXIOCPIBSTGL-UHFFFAOYSA-N
Compound name
N-(2-morpholin-4-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

325.17902 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.18630 184.7
[M+Na]+ 348.16824 196.2
[M+NH4]+ 343.21284 192.1
[M+K]+ 364.14218 189.4
[M-H]- 324.17174 191.4
[M+Na-2H]- 346.15369 189.4
[M]+ 325.17847 188.3
[M]- 325.17957 188.3
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